N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine

C9H10ClN3O — CID 83835155

IUPACN'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
SMILESNCCNc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C9H10ClN3O/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyMIFZSFOXMHLGCV-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.85
Rot. Bonds3

About N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine

N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine (PubChem CID 83835155) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
PubChem CID83835155
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC NameN'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
SMILESNCCNc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C9H10ClN3O/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyMIFZSFOXMHLGCV-UHFFFAOYSA-N
XLogP1.85
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine 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'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine (CID 83835155) is N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine is NCCNc1nc2ccc(Cl)cc2o1.
What is the InChIKey of N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
The InChIKey is MIFZSFOXMHLGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-6-1-2-7-8(5-6)14-9(13-7)12-4-3-11/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine?
N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine has a molecular weight of 211.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 83835155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).