6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole

C10H6ClN3O — CID 25104007

IUPAC6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3ccn[nH]3)oc2c1
InChIInChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)
InChIKeyFUVXQEJXXAPQHS-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.87
Rot. Bonds1

About 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole

6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole (PubChem CID 25104007) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
PubChem CID25104007
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(-c3ccn[nH]3)oc2c1
InChIInChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)
InChIKeyFUVXQEJXXAPQHS-UHFFFAOYSA-N
XLogP2.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole 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-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole (CID 25104007) is 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole is Clc1ccc2nc(-c3ccn[nH]3)oc2c1.
What is the InChIKey of 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The InChIKey is FUVXQEJXXAPQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14).
What are the key properties of 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole?
6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole has a molecular weight of 219.63 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1H-pyrazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 25104007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).