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

C15H14N2OS — CID 126793475

IUPAC3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1cccc(-c2nc(-c3c(C)noc3C)cs2)c1
InChIInChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)15-16-13(8-19-15)14-10(2)17-18-11(14)3/h4-8H,1-3H3
InChIKeySHNSUBYWQIQQEX-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.39
Rot. Bonds2

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

3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 126793475) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID126793475
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1cccc(-c2nc(-c3c(C)noc3C)cs2)c1
InChIInChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)15-16-13(8-19-15)14-10(2)17-18-11(14)3/h4-8H,1-3H3
InChIKeySHNSUBYWQIQQEX-UHFFFAOYSA-N
XLogP4.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686
2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888733
4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 16780334
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
4-(2,4-dimethylphenyl)-2-[3-(furan-2-yl)phenyl]-1,3-thiazole
CID 168527485
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 126793475) is 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole is Cc1cccc(-c2nc(-c3c(C)noc3C)cs2)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is SHNSUBYWQIQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-5-4-6-12(7-9)15-16-13(8-19-15)14-10(2)17-18-11(14)3/h4-8H,1-3H3.
What are the key properties of 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole?
3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 270.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 126793475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).