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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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).