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

C12H8N2OS — CID 173298635

IUPAC2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ncco3)s2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)12-14-8-10(16-12)11-13-6-7-15-11/h1-8H
InChIKeyWQDFZTRKLGDXMO-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.47
Rot. Bonds2

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

2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole (PubChem CID 173298635) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
PubChem CID173298635
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole
SMILESc1ccc(-c2ncc(-c3ncco3)s2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)12-14-8-10(16-12)11-13-6-7-15-11/h1-8H
InChIKeyWQDFZTRKLGDXMO-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1,3-oxazole;zinc
CID 175242530
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
CID 173358954
CID 173358954
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-thiazole
CID 140714930
benzaldehyde;2-phenyl-1,3-oxazole
CID 157335957
4-(5-phenyl-1,3-thiazol-2-yl)benzenesulfonic acid
CID 88788376
2-naphthalen-2-yl-5-phenyl-1,3-thiazole
CID 90384723
2-(2-phenyl-1,3-thiazol-5-yl)benzamide
CID 174783115
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228
2-(2,6-dideuteriophenyl)-1,3-oxazole
CID 122401309
2-tert-butyl-5-phenyl-1,3-thiazole
CID 21059934

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole (CID 173298635) is 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole is c1ccc(-c2ncc(-c3ncco3)s2)cc1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole?
The InChIKey is WQDFZTRKLGDXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)12-14-8-10(16-12)11-13-6-7-15-11/h1-8H.
What are the key properties of 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole?
2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole has a molecular weight of 228.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 173298635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).