5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide

C17H20ClN3O2 — CID 5309586

IUPAC5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC1CCCCC1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O2/c1-11-4-2-3-5-14(11)19-16(22)17-21-20-15(23-17)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)
InChIKeyNHYJCNIOYCGGBF-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.62
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide

5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5309586) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID5309586
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC1CCCCC1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O2/c1-11-4-2-3-5-14(11)19-16(22)17-21-20-15(23-17)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)
InChIKeyNHYJCNIOYCGGBF-UHFFFAOYSA-N
XLogP3.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluorobenzyl)-N-phenethyl-1,3,4-oxadiazole-2-carboxamide
CID 16017897
5-(4-chlorobenzyl)-N-(4-methylbenzyl)-1,3,4-oxadiazole-2-carboxamide
CID 15989829
5-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 666851
5-(2-chloro-6-fluorobenzyl)-N-(3-hydroxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 2036928
5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 5308953
5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621783
5-[(4-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017929
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 667124
5-[(3-fluorophenyl)methyl]-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 16017909
5-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 5307743
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560
N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 15989831

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide (CID 5309586) is 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide is CC1CCCCC1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NHYJCNIOYCGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-4-2-3-5-14(11)19-16(22)17-21-20-15(23-17)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5309586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).