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

C15H14N2OS — CID 86818870

IUPAC5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1oncc1-c1csc(CCc2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c1-11-13(9-16-18-11)14-10-19-15(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyWJRHHAMCRGLWMU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.89
Rot. Bonds4

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

5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 86818870) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID86818870
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCc1oncc1-c1csc(CCc2ccccc2)n1
InChIInChI=1S/C15H14N2OS/c1-11-13(9-16-18-11)14-10-19-15(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyWJRHHAMCRGLWMU-UHFFFAOYSA-N
XLogP3.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 86818870) is 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole is Cc1oncc1-c1csc(CCc2ccccc2)n1.
What is the InChIKey of 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is WJRHHAMCRGLWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-13(9-16-18-11)14-10-19-15(17-14)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole?
5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 270.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 86818870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).