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

C15H13N3O2S — CID 3232259

IUPAC5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)13-12(17-8-20-13)14(19)18-15-16-7-10(2)21-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyWJRKAVCMGKTMGS-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

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

5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 3232259) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID3232259
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)13-12(17-8-20-13)14(19)18-15-16-7-10(2)21-15/h3-8H,1-2H3,(H,16,18,19)
InChIKeyWJRKAVCMGKTMGS-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-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide (CID 3232259) is 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is WJRKAVCMGKTMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-4-3-5-11(6-9)13-12(17-8-20-13)14(19)18-15-16-7-10(2)21-15/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-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-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3232259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).