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

C16H15N3O2S — CID 6470972

IUPAC5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)c3cc(C)on3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-3-5-12(6-4-10)16-18-13(9-22-16)8-17-15(20)14-7-11(2)21-19-14/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyZLOZPRPXROXMSD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds4

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

5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 6470972) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID6470972
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2nc(CNC(=O)c3cc(C)on3)cs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-3-5-12(6-4-10)16-18-13(9-22-16)8-17-15(20)14-7-11(2)21-19-14/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyZLOZPRPXROXMSD-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 6470972) is 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2nc(CNC(=O)c3cc(C)on3)cs2)cc1.
What is the InChIKey of 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZLOZPRPXROXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-3-5-12(6-4-10)16-18-13(9-22-16)8-17-15(20)14-7-11(2)21-19-14/h3-7,9H,8H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6470972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).