4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole

C13H10N2OS — CID 119081786

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole
SMILESCc1csc(-c2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H10N2OS/c1-9-8-17-13(14-9)11-7-16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDBRZYLGUNBAKCC-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole

4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole (PubChem CID 119081786) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole
PubChem CID119081786
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole
SMILESCc1csc(-c2coc(-c3ccccc3)n2)n1
InChIInChI=1S/C13H10N2OS/c1-9-8-17-13(14-9)11-7-16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDBRZYLGUNBAKCC-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-thiophen-3-yl-1,3-oxazole
CID 119082929
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
CID 139216519
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
CID 58119370
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
4-(2-phenyl-1,3-oxazol-4-yl)benzene-1,2-diol
CID 115047090
4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
CID 58119309
2-(4-butylphenyl)-4-phenyl-1,3-oxazole
CID 56669361
4-amino-3-(2-phenyl-1,3-oxazol-4-yl)-1H-1,2,4-triazole-5-thione
CID 139229785
4-fluoro-2-phenyl-1,3-oxazole
CID 141447377
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole (CID 119081786) is 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole is Cc1csc(-c2coc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole?
The InChIKey is DBRZYLGUNBAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-8-17-13(14-9)11-7-16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole?
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole has a molecular weight of 242.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 119081786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).