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

C15H18ClN3O2 — CID 6621783

IUPAC5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)7-8-17-14(20)15-19-18-13(21-15)9-11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyITXGJZAZZXSAGY-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.09
Rot. Bonds6

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

5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 6621783) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID6621783
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClN3O2/c1-10(2)7-8-17-14(20)15-19-18-13(21-15)9-11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyITXGJZAZZXSAGY-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
methyl N-(3-{5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl}propanoyl)glycinate
CID 16190739
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-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
5-[(4-chlorophenyl)methyl]-N-(2-methylcyclohexyl)-1,3,4-oxadiazole-2-carboxamide
CID 5309586

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide (CID 6621783) is 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ITXGJZAZZXSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)7-8-17-14(20)15-19-18-13(21-15)9-11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.09, 6 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-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 6621783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).