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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Related Compounds

5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 6465157
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
CID 1479634
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 6470972
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole
CID 2745401
2-[4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 2742487
3-Phenyl-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2745504
3-Methyl-4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1,2-oxazol-5-amine
CID 2745855
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 36968025
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 52601838
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75369420
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 75403324
4-[2-(4-Tert-butylphenyl)-1,3-thiazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 2745599

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).