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

C16H15N3O3S — CID 39868246

IUPAC5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3csc(C)n3)no2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-18-12(9-23-10)8-17-16(20)14-7-15(22-19-14)11-3-5-13(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyQUUFOYKFJPQWQA-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.05
Rot. Bonds5

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

5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 39868246) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID39868246
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3csc(C)n3)no2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-18-12(9-23-10)8-17-16(20)14-7-15(22-19-14)11-3-5-13(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyQUUFOYKFJPQWQA-UHFFFAOYSA-N
XLogP3.05
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
N-[[4-(3-chloro-2-methylphenoxy)phenyl]methyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 163347457
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 16867217
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 39868246) is 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3csc(C)n3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QUUFOYKFJPQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-18-12(9-23-10)8-17-16(20)14-7-15(22-19-14)11-3-5-13(21-2)6-4-11/h3-7,9H,8H2,1-2H3,(H,17,20).
What are the key properties of 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39868246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).