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

C20H15BrN2O3 — CID 22137722

IUPAC6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1Br
InChIInChI=1S/C20H15BrN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeySCKHJYQNEIVLRE-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.63
Rot. Bonds3

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

6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137722) has the molecular formula C20H15BrN2O3 and a molecular weight of 411.26 g/mol. Its IUPAC name is 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137722
Molecular FormulaC20H15BrN2O3
Molecular Weight411.26 g/mol
Exact Mass410.03
IUPAC Name6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1Br
InChIInChI=1S/C20H15BrN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeySCKHJYQNEIVLRE-UHFFFAOYSA-N
XLogP4.63
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[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

Related Compounds

3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 9884036
6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20304994
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
6-(2,4-Dimethoxy-phenyl)-5-methyl-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one
CID 22015585
6-(3-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137726
6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137728
3-(3-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579328
3-(2,6-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 25102447
5-methyl-3-phenyl-6-(4-propoxyphenyl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 42601150
[4-[(3-Fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9467999
5-Methyl-6-(4-phenoxyphenyl)-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015582
6-(4-isopropoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137724

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137722) is 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1Br.
What is the InChIKey of 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is SCKHJYQNEIVLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 411.26 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).