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

C20H16N2O3 — CID 22137726

IUPAC6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C20H16N2O3/c1-22-16(14-9-6-10-15(11-14)24-2)12-17-18(20(22)23)19(21-25-17)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyATKHSMJURQAPMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.87
Rot. Bonds3

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

6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137726) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137726
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1
InChIInChI=1S/C20H16N2O3/c1-22-16(14-9-6-10-15(11-14)24-2)12-17-18(20(22)23)19(21-25-17)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyATKHSMJURQAPMF-UHFFFAOYSA-N
XLogP3.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22015572
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 9884036
6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 9908426
3-(2-(1-Benzylpiperidin-4-yl)ethyl)-5-methoxybenzo[d]isoxazole
CID 10405626
5-Methyl-6-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one
CID 11223729
6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20304994
6-(4-fluorophenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305037

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137726) is 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1cccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is ATKHSMJURQAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-22-16(14-9-6-10-15(11-14)24-2)12-17-18(20(22)23)19(21-25-17)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).