5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one

C9H8N2O3 — CID 135784039

IUPAC5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCC(=O)c1c[nH]c2onc(C)c2c1=O
InChIInChI=1S/C9H8N2O3/c1-4-7-8(13)6(5(2)12)3-10-9(7)14-11-4/h3H,1-2H3,(H,10,13)
InChIKeyNVERUUCBGXFOHE-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.03
Rot. Bonds1

About 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one

5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one (PubChem CID 135784039) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
PubChem CID135784039
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCC(=O)c1c[nH]c2onc(C)c2c1=O
InChIInChI=1S/C9H8N2O3/c1-4-7-8(13)6(5(2)12)3-10-9(7)14-11-4/h3H,1-2H3,(H,10,13)
InChIKeyNVERUUCBGXFOHE-UHFFFAOYSA-N
XLogP1.03
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563148
N-cycloheptyl-3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71563149
Ethyl 4-hydroxy-3-methylisoxazolo[5,4-b]pyridine-5-carboxylate
CID 135444872
3-Methylisoxazolo[5,4-b]pyridin-4-ol
CID 136350682
6-(Difluoromethyl)-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-ol
CID 165443719
3-Ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 20348849
7-Ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 14042837
3-Methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 71561716
3,7-Dimethyl-4-oxo-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 82395493
N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide
CID 130693334
3-methyl-4-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 136315676
4-oxo-3-propan-2-yl-7H-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 136315677

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one (CID 135784039) is 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one is CC(=O)c1c[nH]c2onc(C)c2c1=O.
What is the InChIKey of 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The InChIKey is NVERUUCBGXFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-4-7-8(13)6(5(2)12)3-10-9(7)14-11-4/h3H,1-2H3,(H,10,13).
What are the key properties of 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one has a molecular weight of 192.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135784039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).