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

C20H15FN2O3 — CID 22137728

IUPAC6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1F
InChIInChI=1S/C20H15FN2O3/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
InChIKeyDMKBAOQWTBZRST-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.01
Rot. Bonds3

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

6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 22137728) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID22137728
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1F
InChIInChI=1S/C20H15FN2O3/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
InChIKeyDMKBAOQWTBZRST-UHFFFAOYSA-N
XLogP4.01
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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
3-(4-Isopropoxyphenyl)-3-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}propanoic acid
CID 3245669
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
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
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
6-(3,4-difluorophenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305046
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
6-(2-fluorophenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20390661

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 22137728) is 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is DMKBAOQWTBZRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/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-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 350.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 22137728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).