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

C17H20ClN3O2 — CID 5308953

IUPAC5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O2/c18-13-9-7-12(8-10-13)11-15-20-21-17(23-15)16(22)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,19,22)
InChIKeyQNGFQVRCWMOROG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.77
Rot. Bonds4

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

5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5308953) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID5308953
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O2/c18-13-9-7-12(8-10-13)11-15-20-21-17(23-15)16(22)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,19,22)
InChIKeyQNGFQVRCWMOROG-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide (CID 5308953) is 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QNGFQVRCWMOROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-13-9-7-12(8-10-13)11-15-20-21-17(23-15)16(22)19-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11H2,(H,19,22).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.77, 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-cycloheptyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5308953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).