5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one

C17H15FN2O2 — CID 76683426

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3
InChIKeyHNPBIIPFQQSPRU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.31
Rot. Bonds3

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 76683426) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one
PubChem CID76683426
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3
InChIKeyHNPBIIPFQQSPRU-UHFFFAOYSA-N
XLogP3.31
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one (CID 76683426) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is HNPBIIPFQQSPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 298.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 76683426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).