5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C9H8ClN3O — CID 18070416

IUPAC5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKeyKXMXDIMDUQXAPN-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.90
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 18070416) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID18070416
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKeyKXMXDIMDUQXAPN-UHFFFAOYSA-N
XLogP1.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine 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-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 18070416) is 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KXMXDIMDUQXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 18070416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).