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

C17H16N2O2 — CID 76683643

IUPAC1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyCIJOVPIWGFQZFF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.17
Rot. Bonds3

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

1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (PubChem CID 76683643) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
PubChem CID76683643
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3
InChIKeyCIJOVPIWGFQZFF-UHFFFAOYSA-N
XLogP3.17
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.17
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)pyridin-2-one?
The IUPAC name of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (CID 76683643) is 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The InChIKey is CIJOVPIWGFQZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.17, 3 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)pyridin-2-one is sourced from PubChem (CID 76683643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).