5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

C19H14N2O2 — CID 4250909

IUPAC5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyLCNDUGHNYMJGIW-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.86
Rot. Bonds2

About 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 4250909) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID4250909
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyLCNDUGHNYMJGIW-UHFFFAOYSA-N
XLogP3.86
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
Mls003170801
CID 332790
1-[(5-Methyl-3-phenylisoxazol-4-yl)carbonyl]-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
CID 330502
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
Cambridge id 5777587
CID 869900
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 4250909) is 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is Cn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is LCNDUGHNYMJGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 4250909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).