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

C14H12N2O2S — CID 2745401

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2csc(-c3cc(C)on3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-9-7-12(16-18-9)14-15-13(8-19-14)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3
InChIKeyODOWLMQSPMXKIG-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.78
Rot. Bonds3

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

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (PubChem CID 2745401) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
PubChem CID2745401
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2csc(-c3cc(C)on3)n2)cc1
InChIInChI=1S/C14H12N2O2S/c1-9-7-12(16-18-9)14-15-13(8-19-14)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3
InChIKeyODOWLMQSPMXKIG-UHFFFAOYSA-N
XLogP3.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
Isoxazole, 5-[5-[4-(4,5-dimethyl-2-thiazolyl)phenoxy]pentyl]-3-methyl-
CID 5273093
5-Methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745330
1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 4826336
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7733308
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403210
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-amine
CID 2745842
3-Methyl-5-{5-[4-(2-thiazolyl)phenoxy]pentyl}isoxazole
CID 6483424
3-Methyl-5-[7-[4-(2-methylthiazol-4-yl)phenoxy]heptyl]isoxazole
CID 6483426
N-acetyl-N-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
CID 2745903
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2971506
[(Z)-1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethylideneamino] benzoate
CID 5704170

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole (CID 2745401) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is COc1ccc(-c2csc(-c3cc(C)on3)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is ODOWLMQSPMXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-7-12(16-18-9)14-15-13(8-19-14)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 272.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 2745401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).