N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C16H18FN3O2 — CID 22520088

IUPACN-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C16H18FN3O2/c17-12-6-4-5-11(9-12)10-14-19-20-16(22-14)15(21)18-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,18,21)
InChIKeyOEJGTKLRYJJKAX-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.86
Rot. Bonds4

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

N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520088) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520088
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C16H18FN3O2/c17-12-6-4-5-11(9-12)10-14-19-20-16(22-14)15(21)18-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,18,21)
InChIKeyOEJGTKLRYJJKAX-UHFFFAOYSA-N
XLogP2.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-5-[(3-fluorophenyl)methyl]-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 N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22520088) is N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CCCCC1)c1nnc(Cc2cccc(F)c2)o1.
What is the InChIKey of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OEJGTKLRYJJKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-12-6-4-5-11(9-12)10-14-19-20-16(22-14)15(21)18-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,18,21).
What are the key properties of N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).