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

C17H20ClN3O2 — CID 1250477

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,19,22)
InChIKeyPVGXVXJFMRVICR-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.77
Rot. Bonds5

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

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide (PubChem CID 1250477) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
PubChem CID1250477
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
SMILESO=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,19,22)
InChIKeyPVGXVXJFMRVICR-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide (CID 1250477) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide is O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide?
The InChIKey is PVGXVXJFMRVICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-13-8-6-12(7-9-13)17-20-16(23-21-17)11-10-15(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,19,22).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 1250477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).