6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole

C17H11ClN4OS — CID 162753031

IUPAC6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
SMILESClc1ccc2nc(CSc3ncc(-c4ccccn4)cn3)oc2c1
InChIInChI=1S/C17H11ClN4OS/c18-12-4-5-14-15(7-12)23-16(22-14)10-24-17-20-8-11(9-21-17)13-3-1-2-6-19-13/h1-9H,10H2
InChIKeyUSCYBBZJFYPCGA-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.63
Rot. Bonds4

About 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole

6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole (PubChem CID 162753031) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
PubChem CID162753031
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC Name6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
SMILESClc1ccc2nc(CSc3ncc(-c4ccccn4)cn3)oc2c1
InChIInChI=1S/C17H11ClN4OS/c18-12-4-5-14-15(7-12)23-16(22-14)10-24-17-20-8-11(9-21-17)13-3-1-2-6-19-13/h1-9H,10H2
InChIKeyUSCYBBZJFYPCGA-UHFFFAOYSA-N
XLogP4.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-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-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole (CID 162753031) is 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole is Clc1ccc2nc(CSc3ncc(-c4ccccn4)cn3)oc2c1.
What is the InChIKey of 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole?
The InChIKey is USCYBBZJFYPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-12-4-5-14-15(7-12)23-16(22-14)10-24-17-20-8-11(9-21-17)13-3-1-2-6-19-13/h1-9H,10H2.
What are the key properties of 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole?
6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole has a molecular weight of 354.82 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5-pyridin-2-ylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole is sourced from PubChem (CID 162753031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).