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

C18H16ClN3O2 — CID 15989829

IUPAC5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-2-4-14(5-3-12)11-20-17(23)18-22-21-16(24-18)10-13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOXKIGVNYSSZHTP-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.55
Rot. Bonds5

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

5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989829) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989829
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-2-4-14(5-3-12)11-20-17(23)18-22-21-16(24-18)10-13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOXKIGVNYSSZHTP-UHFFFAOYSA-N
XLogP3.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.55
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-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5309782
5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 5308953
5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 5308955
5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 6621783
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 667124
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
CID 5308560
5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide
CID 5309586
N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 15989831
5-[(3-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017901
N-[(2-chlorophenyl)methyl]-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 16017903
5-(2-chloro-6-fluorobenzyl)-N-(3-(4-methylpiperazin-1-yl)propyl)-1,3,4-oxadiazole-2-carboxamide
CID 2038766

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989829) is 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nnc(Cc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OXKIGVNYSSZHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-2-4-14(5-3-12)11-20-17(23)18-22-21-16(24-18)10-13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.55, 5 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-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).