2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide

C15H16ClN3O2S — CID 86998426

IUPAC2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2(c3noc(C)n3)CCC2)c1
InChIInChI=1S/C15H16ClN3O2S/c1-9-17-14(19-21-9)15(6-3-7-15)18-13(20)11-8-10(22-2)4-5-12(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyXBDHKVBRZCQSSR-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide

2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide (PubChem CID 86998426) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
PubChem CID86998426
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2(c3noc(C)n3)CCC2)c1
InChIInChI=1S/C15H16ClN3O2S/c1-9-17-14(19-21-9)15(6-3-7-15)18-13(20)11-8-10(22-2)4-5-12(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,18,20)
InChIKeyXBDHKVBRZCQSSR-UHFFFAOYSA-N
XLogP3.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide (CID 86998426) is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC2(c3noc(C)n3)CCC2)c1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide?
The InChIKey is XBDHKVBRZCQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9-17-14(19-21-9)15(6-3-7-15)18-13(20)11-8-10(22-2)4-5-12(11)16/h4-5,8H,3,6-7H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide?
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide has a molecular weight of 337.83 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 86998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).