1-(1,3-Benzoxazol-2-yl)methanamine

C₈H₈N₂OCAS 101333-98-6148.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.29Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

101333-98-6

SMILES

C1=CC=C2C(=C1)N=C(O2)CN

InChIKey

YKUMWOOPDHGKIR-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2

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Names and synonyms

1 names

Benzo[D]oxazol-2-ylmethanamine

Work with 1-(1,3-Benzoxazol-2-yl)methanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylbenzoxazole95-21-652 % similar 2-Mercaptobenzoxazole2382-96-947 % similar 2(3H)-Benzoxazolone59-49-447 % similar 2-Chlorobenzoxazole615-18-947 % similar 2-Phenylbenzoxazole833-50-145 % similar 2-(P-Aminophenyl)benzoxazole20934-81-043 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-543 % similar 4,4′-Bis(2-benzoxazolyl)stilbene1533-45-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-4 1H-Benzimidazole-2-methanol4856-97-7 5-Methoxybenzimidazole4887-80-3 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-8

Elsewhere

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