5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole

C15H12N2OS — CID 66643640

IUPAC5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1/C=C/c1nccs1
InChIInChI=1S/C15H12N2OS/c1-11-13(7-8-14-16-9-10-19-14)15(17-18-11)12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyXWPULSLERVUUSX-BQYQJAHWSA-N
MW268.34 g/mol
LogP4.28
Rot. Bonds3

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

5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole (PubChem CID 66643640) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
PubChem CID66643640
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1/C=C/c1nccs1
InChIInChI=1S/C15H12N2OS/c1-11-13(7-8-14-16-9-10-19-14)15(17-18-11)12-5-3-2-4-6-12/h2-10H,1H3/b8-7+
InChIKeyXWPULSLERVUUSX-BQYQJAHWSA-N
XLogP4.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole (CID 66643640) is 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole is Cc1onc(-c2ccccc2)c1/C=C/c1nccs1.
What is the InChIKey of 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole?
The InChIKey is XWPULSLERVUUSX-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-11-13(7-8-14-16-9-10-19-14)15(17-18-11)12-5-3-2-4-6-12/h2-10H,1H3/b8-7+.
What are the key properties of 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole?
5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole has a molecular weight of 268.34 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 66643640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).