6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine

C10H6ClN3O2 — CID 134284113

IUPAC6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2nc(Nc3cnoc3)oc2c1
InChIInChI=1S/C10H6ClN3O2/c11-6-1-2-8-9(3-6)16-10(14-8)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeySWWZJVJEKIFQND-UHFFFAOYSA-N
MW235.63 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine

6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 134284113) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine
PubChem CID134284113
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2nc(Nc3cnoc3)oc2c1
InChIInChI=1S/C10H6ClN3O2/c11-6-1-2-8-9(3-6)16-10(14-8)13-7-4-12-15-5-7/h1-5H,(H,13,14)
InChIKeySWWZJVJEKIFQND-UHFFFAOYSA-N
XLogP3.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-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 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine (CID 134284113) is 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine is Clc1ccc2nc(Nc3cnoc3)oc2c1.
What is the InChIKey of 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is SWWZJVJEKIFQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-6-1-2-8-9(3-6)16-10(14-8)13-7-4-12-15-5-7/h1-5H,(H,13,14).
What are the key properties of 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine?
6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 235.63 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).