5-chloro-1,2-benzoxazol-3-amine

C7H5ClN2O — CID 52911148

IUPAC5-chloro-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(Cl)cc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyTVQGEMZMXVGMCR-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.06
Rot. Bonds

About 5-chloro-1,2-benzoxazol-3-amine

5-chloro-1,2-benzoxazol-3-amine (PubChem CID 52911148) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 5-chloro-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name5-chloro-1,2-benzoxazol-3-amine
PubChem CID52911148
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name5-chloro-1,2-benzoxazol-3-amine
SMILESNc1noc2ccc(Cl)cc12
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKeyTVQGEMZMXVGMCR-UHFFFAOYSA-N
XLogP2.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1,2-benzoxazol-3-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-chloro-1,2-benzoxazol-3-amine?
The IUPAC name of 5-chloro-1,2-benzoxazol-3-amine (CID 52911148) is 5-chloro-1,2-benzoxazol-3-amine.
What is the SMILES notation for 5-chloro-1,2-benzoxazol-3-amine?
The canonical SMILES for 5-chloro-1,2-benzoxazol-3-amine is Nc1noc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1,2-benzoxazol-3-amine?
The InChIKey is TVQGEMZMXVGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10).
What are the key properties of 5-chloro-1,2-benzoxazol-3-amine?
5-chloro-1,2-benzoxazol-3-amine has a molecular weight of 168.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-benzoxazol-3-amine is sourced from PubChem (CID 52911148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).