3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

C13H10N2O2 — CID 13314020

IUPAC3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc(-n2c(=O)oc3cccnc32)cc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12/h2-8H,1H3
InChIKeyXJEAMKLIOYNDEP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.29
Rot. Bonds1

About 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 13314020) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID13314020
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc(-n2c(=O)oc3cccnc32)cc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12/h2-8H,1H3
InChIKeyXJEAMKLIOYNDEP-UHFFFAOYSA-N
XLogP2.29
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 123413936
3-[3-(4-methylphenyl)sulfonylpropyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75442440
2-(5-methylfuran-2-yl)-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117164583
2-(3-methylphenyl)-N-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 66921849
3-(1-aminopropan-2-yl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 82143832
3-[1-[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-4-yl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 11965397
3-[[4-(hydroxymethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 110006022
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161
6-hydroxy-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 44543048
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
CID 82060173
2-fluoro-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetic acid
CID 81297346
3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 848491

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 13314020) is 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1ccc(-n2c(=O)oc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is XJEAMKLIOYNDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-9-4-6-10(7-5-9)15-12-11(17-13(15)16)3-2-8-14-12/h2-8H,1H3.
What are the key properties of 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 226.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 13314020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).