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

C17H15ClN2O2 — CID 90234436

IUPAC1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(Cl)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H15ClN2O2/c1-11-16(12(2)22-19-11)14-8-15(18)17(21)20(10-14)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChIKeySTWXNWVJXNKXBV-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.82
Rot. Bonds3

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

1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (PubChem CID 90234436) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
PubChem CID90234436
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
SMILESCc1noc(C)c1-c1cc(Cl)c(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C17H15ClN2O2/c1-11-16(12(2)22-19-11)14-8-15(18)17(21)20(10-14)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChIKeySTWXNWVJXNKXBV-UHFFFAOYSA-N
XLogP3.82
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The IUPAC name of 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one (CID 90234436) is 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is Cc1noc(C)c1-c1cc(Cl)c(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
The InChIKey is STWXNWVJXNKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-16(12(2)22-19-11)14-8-15(18)17(21)20(10-14)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one?
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one is sourced from PubChem (CID 90234436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).