6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole

C17H10ClNOS — CID 170716706

IUPAC6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
SMILESClc1ccc(-c2ccc3nc(-c4cccs4)oc3c2)cc1
InChIInChI=1S/C17H10ClNOS/c18-13-6-3-11(4-7-13)12-5-8-14-15(10-12)20-17(19-14)16-2-1-9-21-16/h1-10H
InChIKeyOIWWMKFVWJUGOQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP5.88
Rot. Bonds2

About 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole

6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole (PubChem CID 170716706) has the molecular formula C17H10ClNOS and a molecular weight of 311.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
PubChem CID170716706
Molecular FormulaC17H10ClNOS
Molecular Weight311.79 g/mol
Exact Mass311.02
IUPAC Name6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
SMILESClc1ccc(-c2ccc3nc(-c4cccs4)oc3c2)cc1
InChIInChI=1S/C17H10ClNOS/c18-13-6-3-11(4-7-13)12-5-8-14-15(10-12)20-17(19-14)16-2-1-9-21-16/h1-10H
InChIKeyOIWWMKFVWJUGOQ-UHFFFAOYSA-N
XLogP5.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.79
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole (CID 170716706) is 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole is Clc1ccc(-c2ccc3nc(-c4cccs4)oc3c2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is OIWWMKFVWJUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNOS/c18-13-6-3-11(4-7-13)12-5-8-14-15(10-12)20-17(19-14)16-2-1-9-21-16/h1-10H.
What are the key properties of 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole?
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 311.79 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 170716706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).