5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole

C13H10N2OS — CID 2742515

IUPAC5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)11-8-17-13(15-11)12-6-7-14-16-12/h2-8H,1H3
InChIKeyUWLWVOOZWDUCSJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

About 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2742515) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2742515
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)11-8-17-13(15-11)12-6-7-14-16-12/h2-8H,1H3
InChIKeyUWLWVOOZWDUCSJ-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

5-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745315
5-{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}isoxazole
CID 2742520
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
CID 1479634
4-(2-Isoxazol-5-yl-1,3-thiazol-4-yl)benzonitrile
CID 2742518
5-[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2742521
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
5-[4-(3-Methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742517
5-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742510
5-[4-(2,4-Dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742514
5-Methyl-4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
CID 2742519
5-[4-[(4-Chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole
CID 2745396
(6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)(2-phenylthiazol-4-yl)methanone
CID 86265126

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2742515) is 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Cc1ccc(-c2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is UWLWVOOZWDUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)11-8-17-13(15-11)12-6-7-14-16-12/h2-8H,1H3.
What are the key properties of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-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 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2742515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).