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

C14H12N2OS — CID 2745330

IUPAC5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3cc(C)on3)n2)cc1
InChIInChI=1S/C14H12N2OS/c1-9-3-5-11(6-4-9)13-8-18-14(15-13)12-7-10(2)17-16-12/h3-8H,1-2H3
InChIKeyTWOAQLHNBNSCGV-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.08
Rot. Bonds2

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

5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2745330) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2745330
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESCc1ccc(-c2csc(-c3cc(C)on3)n2)cc1
InChIInChI=1S/C14H12N2OS/c1-9-3-5-11(6-4-9)13-8-18-14(15-13)12-7-10(2)17-16-12/h3-8H,1-2H3
InChIKeyTWOAQLHNBNSCGV-UHFFFAOYSA-N
XLogP4.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2745330) is 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is Cc1ccc(-c2csc(-c3cc(C)on3)n2)cc1.
What is the InChIKey of 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is TWOAQLHNBNSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-3-5-11(6-4-9)13-8-18-14(15-13)12-7-10(2)17-16-12/h3-8H,1-2H3.
What are the key properties of 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 256.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2745330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).