2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole

C16H9ClN2OS — CID 102580280

IUPAC2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)13-9-18-15(20-13)16-19-12-3-1-2-4-14(12)21-16/h1-9H
InChIKeyCKLHMJNMBWDGIJ-UHFFFAOYSA-N
MW312.78 g/mol
LogP5.27
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 102580280) has the molecular formula C16H9ClN2OS and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole
PubChem CID102580280
Molecular FormulaC16H9ClN2OS
Molecular Weight312.78 g/mol
Exact Mass312.01
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)13-9-18-15(20-13)16-19-12-3-1-2-4-14(12)21-16/h1-9H
InChIKeyCKLHMJNMBWDGIJ-UHFFFAOYSA-N
XLogP5.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.78
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole (CID 102580280) is 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is CKLHMJNMBWDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2OS/c17-11-7-5-10(6-8-11)13-9-18-15(20-13)16-19-12-3-1-2-4-14(12)21-16/h1-9H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 312.78 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 102580280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).