4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

C17H15ClN4O2 — CID 667359

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1
InChIInChI=1S/C17H15ClN4O2/c18-13-8-6-12(7-9-13)17-21-16(24-22-17)5-1-4-15(23)20-14-3-2-10-19-11-14/h2-3,6-11H,1,4-5H2,(H,20,23)
InChIKeyXFEQXWJDMJXKHV-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.75
Rot. Bonds6

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (PubChem CID 667359) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
PubChem CID667359
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1
InChIInChI=1S/C17H15ClN4O2/c18-13-8-6-12(7-9-13)17-21-16(24-22-17)5-1-4-15(23)20-14-3-2-10-19-11-14/h2-3,6-11H,1,4-5H2,(H,20,23)
InChIKeyXFEQXWJDMJXKHV-UHFFFAOYSA-N
XLogP3.75
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide (CID 667359) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
The InChIKey is XFEQXWJDMJXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-13-8-6-12(7-9-13)17-21-16(24-22-17)5-1-4-15(23)20-14-3-2-10-19-11-14/h2-3,6-11H,1,4-5H2,(H,20,23).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide has a molecular weight of 342.79 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 667359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).