2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole

C16H10N2OS — CID 102452120

IUPAC2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)13-10-17-15(19-13)16-18-12-8-4-5-9-14(12)20-16/h1-10H
InChIKeySASRROMOWZGJBN-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.62
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole (PubChem CID 102452120) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole
PubChem CID102452120
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)13-10-17-15(19-13)16-18-12-8-4-5-9-14(12)20-16/h1-10H
InChIKeySASRROMOWZGJBN-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.62
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-phenyl-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole (CID 102452120) is 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole is c1ccc(-c2cnc(-c3nc4ccccc4s3)o2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole?
The InChIKey is SASRROMOWZGJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)13-10-17-15(19-13)16-18-12-8-4-5-9-14(12)20-16/h1-10H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-5-phenyl-1,3-oxazole has a molecular weight of 278.34 g/mol, XLogP of 4.62, 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-phenyl-1,3-oxazole is sourced from PubChem (CID 102452120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).