1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one

C15H12ClN3O2S — CID 2766582

IUPAC1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESCSc1nnc(-c2cccn(Cc3cccc(Cl)c3)c2=O)o1
InChIInChI=1S/C15H12ClN3O2S/c1-22-15-18-17-13(21-15)12-6-3-7-19(14(12)20)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3
InChIKeyCVMYRMXDQWBOJJ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.32
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one

1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one (PubChem CID 2766582) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
PubChem CID2766582
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
SMILESCSc1nnc(-c2cccn(Cc3cccc(Cl)c3)c2=O)o1
InChIInChI=1S/C15H12ClN3O2S/c1-22-15-18-17-13(21-15)12-6-3-7-19(14(12)20)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3
InChIKeyCVMYRMXDQWBOJJ-UHFFFAOYSA-N
XLogP3.32
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one (CID 2766582) is 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one is CSc1nnc(-c2cccn(Cc3cccc(Cl)c3)c2=O)o1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
The InChIKey is CVMYRMXDQWBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-22-15-18-17-13(21-15)12-6-3-7-19(14(12)20)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one?
1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one has a molecular weight of 333.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 2766582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).