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

C17H20ClN3O2 — CID 23605826

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c18-14-9-4-3-8-13(14)17-20-16(23-21-17)11-5-10-15(22)19-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,19,22)
InChIKeyGHGKDXIKDAEWDX-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.77
Rot. Bonds6

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

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide (PubChem CID 23605826) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
PubChem CID23605826
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
SMILESO=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCC1
InChIInChI=1S/C17H20ClN3O2/c18-14-9-4-3-8-13(14)17-20-16(23-21-17)11-5-10-15(22)19-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,19,22)
InChIKeyGHGKDXIKDAEWDX-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide (CID 23605826) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide is O=C(CCCc1nc(-c2ccccc2Cl)no1)NC1CCCC1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide?
The InChIKey is GHGKDXIKDAEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-9-4-3-8-13(14)17-20-16(23-21-17)11-5-10-15(22)19-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,19,22).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide has a molecular weight of 333.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide is sourced from PubChem (CID 23605826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).