6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one

C20H18N2O3 — CID 166635034

IUPAC6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(C2=CC3ON=C(c4ccccc4)C3C(=O)N2C)cc1
InChIInChI=1S/C20H18N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12,17-18H,1-2H3
InChIKeyFVPMPUUOFPPKQC-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.93
Rot. Bonds3

About 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one

6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 166635034) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID166635034
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(C2=CC3ON=C(c4ccccc4)C3C(=O)N2C)cc1
InChIInChI=1S/C20H18N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12,17-18H,1-2H3
InChIKeyFVPMPUUOFPPKQC-UHFFFAOYSA-N
XLogP2.93
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

3-(2,6-dimethylphenyl)-7-(4-methoxyphenyl)-5-methyl-3a,7a-dihydro-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 5304279
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
(3aR,6aS)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7602863
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
(1S,2R,6S,7S,8S,12S)-10-(2,6-dimethylphenyl)-5-(4-methoxyphenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 11898709
(3aS,6aS)-5-(4-methoxyphenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98198424
(1S,2S,6R,8R)-5-(4-methoxyphenyl)-3,9,11-trioxa-4-azatricyclo[6.2.1.02,6]undec-4-en-7-one
CID 98044303
(1R,2S,6R,8S)-5-(4-methoxyphenyl)-3,9,11-trioxa-4-azatricyclo[6.2.1.02,6]undec-4-en-7-one
CID 98394538
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
methyl 3,4-bis(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 16640411

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 166635034) is 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is COc1ccc(C2=CC3ON=C(c4ccccc4)C3C(=O)N2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is FVPMPUUOFPPKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12,17-18H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 334.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 166635034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).