2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone

C8H7N3O2 — CID 96629973

IUPAC2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
SMILESNCC(=O)c1nc2cccnc2o1
InChIInChI=1S/C8H7N3O2/c9-4-6(12)8-11-5-2-1-3-10-7(5)13-8/h1-3H,4,9H2
InChIKeyWADBTMLXAORDOI-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone

2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone (PubChem CID 96629973) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
PubChem CID96629973
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
SMILESNCC(=O)c1nc2cccnc2o1
InChIInChI=1S/C8H7N3O2/c9-4-6(12)8-11-5-2-1-3-10-7(5)13-8/h1-3H,4,9H2
InChIKeyWADBTMLXAORDOI-UHFFFAOYSA-N
XLogP0.36
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 143915042
2,2-dimethyl-3-([1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83859387
2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337553
2-N-methyl-2-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)propane-1,2-diamine
CID 83833362
1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82277094
2-amino-1-pyrimidin-2-ylethanone;hydrochloride
CID 67547518
4-amino-1-(1,3-benzoxazol-2-yl)butan-1-one
CID 173180639
[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
CID 83836541
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 82411246
2-aminoacetic acid;quinoxaline
CID 174689994
(3R)-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-amine
CID 166803541
2-amino-1-quinolin-2-ylethanone
CID 23532024

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone?
The IUPAC name of 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone (CID 96629973) is 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone is NCC(=O)c1nc2cccnc2o1.
What is the InChIKey of 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone?
The InChIKey is WADBTMLXAORDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-4-6(12)8-11-5-2-1-3-10-7(5)13-8/h1-3H,4,9H2.
What are the key properties of 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone?
2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone has a molecular weight of 177.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 96629973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).