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

C15H13N3O2S — CID 1164446

IUPAC5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-8-21-15(16-9)17-14(19)12-10(2)20-18-13(12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,19)
InChIKeyYJFDVWLSEUXXEP-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1164446) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1164446
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C15H13N3O2S/c1-9-8-21-15(16-9)17-14(19)12-10(2)20-18-13(12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,19)
InChIKeyYJFDVWLSEUXXEP-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 1164446) is 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1csc(NC(=O)c2c(-c3ccccc3)noc2C)n1.
What is the InChIKey of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YJFDVWLSEUXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-8-21-15(16-9)17-14(19)12-10(2)20-18-13(12)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1164446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).