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

C15H16ClN3O2 — CID 4160355

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,19,20)
InChIKeyJLWCXPHTAIANIH-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.91
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 4160355) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID4160355
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,19,20)
InChIKeyJLWCXPHTAIANIH-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 356899
5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 121151
N-(5-Phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 199264
4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128171
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 3694323
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 7244114
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 658858
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 805087

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 4160355) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is JLWCXPHTAIANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,19,20).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 305.76 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 4160355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).