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

C20H26ClN3O2 — CID 39896911

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCCC1
InChIInChI=1S/C20H26ClN3O2/c21-16-13-11-15(12-14-16)20-23-19(26-24-20)10-6-9-18(25)22-17-7-4-2-1-3-5-8-17/h11-14,17H,1-10H2,(H,22,25)
InChIKeyKPRSMFALHKYBSS-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.94
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide (PubChem CID 39896911) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
PubChem CID39896911
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCCC1
InChIInChI=1S/C20H26ClN3O2/c21-16-13-11-15(12-14-16)20-23-19(26-24-20)10-6-9-18(25)22-17-7-4-2-1-3-5-8-17/h11-14,17H,1-10H2,(H,22,25)
InChIKeyKPRSMFALHKYBSS-UHFFFAOYSA-N
XLogP4.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide
CID 55703457
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
N-cyclooctyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18106193

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide (CID 39896911) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCCCC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide?
The InChIKey is KPRSMFALHKYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-16-13-11-15(12-14-16)20-23-19(26-24-20)10-6-9-18(25)22-17-7-4-2-1-3-5-8-17/h11-14,17H,1-10H2,(H,22,25).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide has a molecular weight of 375.90 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide is sourced from PubChem (CID 39896911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).