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

C18H17ClN4O2 — CID 666238

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1
InChIInChI=1S/C18H17ClN4O2/c19-15-7-2-1-6-14(15)18-22-17(25-23-18)9-3-8-16(24)21-12-13-5-4-10-20-11-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,24)
InChIKeyHREPAGBVGHQIIK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.42
Rot. Bonds7

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

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 666238) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID666238
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1
InChIInChI=1S/C18H17ClN4O2/c19-15-7-2-1-6-14(15)18-22-17(25-23-18)9-3-8-16(24)21-12-13-5-4-10-20-11-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,24)
InChIKeyHREPAGBVGHQIIK-UHFFFAOYSA-N
XLogP3.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 666238) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is HREPAGBVGHQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-15-7-2-1-6-14(15)18-22-17(25-23-18)9-3-8-16(24)21-12-13-5-4-10-20-11-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,24).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 356.81 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 666238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).