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

C20H16N2O2 — CID 46225494

IUPAC5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H16N2O2/c1-2-22-16(14-9-5-3-6-10-14)13-17-18(20(22)23)19(21-24-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyDRCLQPHXNLVEAU-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.34
Rot. Bonds3

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

5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 46225494) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID46225494
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCCn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O
InChIInChI=1S/C20H16N2O2/c1-2-22-16(14-9-5-3-6-10-14)13-17-18(20(22)23)19(21-24-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyDRCLQPHXNLVEAU-UHFFFAOYSA-N
XLogP4.34
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.34
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
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
[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-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 46225494) is 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is CCn1c(-c2ccccc2)cc2onc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is DRCLQPHXNLVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-22-16(14-9-5-3-6-10-14)13-17-18(20(22)23)19(21-24-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 316.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 46225494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).