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Molecule
5-(2-Furanyl)-1,3,4-Oxadiazol-2-Amine
CAS: 7659-06-5 · C6H5N3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7659-06-5
- Molecular Formula
- C6H5N3O2
- Molecular Mass
- 151.13 g/mol
Identifiers
CAS Registry Number
7659-06-5
SMILES
N=c1[nH]nc(-c2ccco2)o1
InChI Key
RNARLYVZVOWYHW-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
Names and Synonyms
- 5-(2-Furanyl)-1,3,4-Oxadiazol-2-Amine Synonym
- 1,3,4-Oxadiazol-2-amine, 5-(2-furanyl)- Synonym
- 1,3,4-Oxadiazole, 2-amino-5-(2-furyl)- Synonym
- 5-(2-Furanyl)-1,3,4-oxadiazol-2-amine Synonym
- 2-Amino-5-(2-furyl)-1,3,4-oxadiazole Synonym
- 2-Amino-5-furyl-1,3,4-oxadiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.13 g/mol | CAS Common Chemistry |
| 151.12499999999997 g/mol | RDKit | |
| 151.125 g/mol | RDKit | |
| Canonical SMILES | N=1N=C(OC1N)C=2OC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5N3O2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=RNARLYVZVOWYHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-226 °C | CAS Common Chemistry |
| Name | 5-(2-Furanyl)-1,3,4-oxadiazol-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 78.81 Ų | RDKit |
| LogP | 0.7421700000000001 | RDKit |
| 0.7422 | RDKit | |
| Molar Refractivity | 34.41040000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 151.0381764 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 151.13 g/mol. Edit any field — others recompute live.
