2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole

C19H14N2OS — CID 46210689

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)sc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H14N2OS/c1-13-17(23-19(21-13)15-10-6-3-7-11-15)18-20-12-16(22-18)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyVYLGNXICPBMUIL-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.44
Rot. Bonds3

About 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole (PubChem CID 46210689) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole
PubChem CID46210689
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)sc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H14N2OS/c1-13-17(23-19(21-13)15-10-6-3-7-11-15)18-20-12-16(22-18)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyVYLGNXICPBMUIL-UHFFFAOYSA-N
XLogP5.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole (CID 46210689) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole is Cc1nc(-c2ccccc2)sc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole?
The InChIKey is VYLGNXICPBMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-17(23-19(21-13)15-10-6-3-7-11-15)18-20-12-16(22-18)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole has a molecular weight of 318.40 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 46210689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).