Oxazolo[4,5-b]pyridin-2(3H)-one

C₆H₄N₂O₂CAS 60832-72-6136.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O₂
Molar mass: 136.11 g/mol
Exact mass: 136.0273 Da
Melting point: 211–212 °C
logP: 0.93Crippen estimate
Polar surface area: 59.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60832-72-6

SMILES

Oc1nc2ncccc2o1

InChIKey

OVLXOTUWFLHWQT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O2/c9-6-8-5-4(10-6)2-1-3-7-5/h1-3H,(H,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

[1,3]Oxazolo[4,5-b]pyridin-2(3H)-one
3H-Oxazolo[4,5-b]pyridin-2-one
2,3-Dihydro-pyrido[2,3-d][1,3]oxazol-2-one
[1,3]Oxazolo[4,5-b]pyridin-2-ol
2H,3H-[1,3]Oxazolo[4,5-b]pyridin-2-one
Oxazolo(4,5-b)pyridin-2(3H)-one

Work with Oxazolo[4,5-b]pyridin-2(3H)-one

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(3H)-Benzoxazolone59-49-452 % similar 1,8-Naphthyridine254-60-438 % similar 2,3-Dihydroxypyridine16867-04-238 % similar 2,3-Pyridinediol84719-32-438 % similar 5-Bromo-2-benzoxazolinone14733-73-437 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-437 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-537 % similar Chlorzoxazone95-25-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dinitrosobenzene105-12-4 Isoxazolo[5,4-B]pyridin-3-ol16880-54-9 Benzofuroxan480-96-6 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-5

Elsewhere

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