5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one

C22H20N2O2 — CID 22137720

IUPAC5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyNRGQTIMDGBRDBQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.81
Rot. Bonds4

About 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one

5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137720) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137720
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1
InChIInChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
InChIKeyNRGQTIMDGBRDBQ-UHFFFAOYSA-N
XLogP4.81
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137720) is 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is CCCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1.
What is the InChIKey of 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is NRGQTIMDGBRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3.
What are the key properties of 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-(4-propylphenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).