[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine

C14H11Cl2N3O — CID 144559608

IUPAC[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine
SMILESNNCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12
InChIInChI=1S/C14H11Cl2N3O/c15-9-5-8(7-18-17)13-12(6-9)19-14(20-13)10-3-1-2-4-11(10)16/h1-6,18H,7,17H2
InChIKeyIPTSHUHUGGLLII-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.76
Rot. Bonds3

About [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine

[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine (PubChem CID 144559608) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine.

Molecular Properties

Compound Name[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine
PubChem CID144559608
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine
SMILESNNCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12
InChIInChI=1S/C14H11Cl2N3O/c15-9-5-8(7-18-17)13-12(6-9)19-14(20-13)10-3-1-2-4-11(10)16/h1-6,18H,7,17H2
InChIKeyIPTSHUHUGGLLII-UHFFFAOYSA-N
XLogP3.76
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine 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-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine?
The IUPAC name of [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine (CID 144559608) is [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine.
What is the SMILES notation for [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine?
The canonical SMILES for [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine is NNCc1cc(Cl)cc2nc(-c3ccccc3Cl)oc12.
What is the InChIKey of [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine?
The InChIKey is IPTSHUHUGGLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-9-5-8(7-18-17)13-12(6-9)19-14(20-13)10-3-1-2-4-11(10)16/h1-6,18H,7,17H2.
What are the key properties of [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine?
[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine has a molecular weight of 308.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine is sourced from PubChem (CID 144559608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).