1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one

C23H19FN2O2 — CID 90234589

IUPAC1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-15-22(16(2)28-25-15)19-12-21(18-8-10-20(24)11-9-18)23(27)26(14-19)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3
InChIKeyYWUJOSCZYYHGLA-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.97
Rot. Bonds4

About 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one (PubChem CID 90234589) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
PubChem CID90234589
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C23H19FN2O2/c1-15-22(16(2)28-25-15)19-12-21(18-8-10-20(24)11-9-18)23(27)26(14-19)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3
InChIKeyYWUJOSCZYYHGLA-UHFFFAOYSA-N
XLogP4.97
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one (CID 90234589) is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one is Cc1noc(C)c1-c1cc(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one?
The InChIKey is YWUJOSCZYYHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15-22(16(2)28-25-15)19-12-21(18-8-10-20(24)11-9-18)23(27)26(14-19)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one?
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one has a molecular weight of 374.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 90234589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).