2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide

C16H14N2O2S — CID 53143283

IUPAC2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccsc3)no2)c(C)c1
InChIInChI=1S/C16H14N2O2S/c1-10-3-4-13(11(2)7-10)16(19)17-15-8-14(18-20-15)12-5-6-21-9-12/h3-9H,1-2H3,(H,17,19)
InChIKeyBUWAJSRNPPZHGP-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

About 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide

2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide (PubChem CID 53143283) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
PubChem CID53143283
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccsc3)no2)c(C)c1
InChIInChI=1S/C16H14N2O2S/c1-10-3-4-13(11(2)7-10)16(19)17-15-8-14(18-20-15)12-5-6-21-9-12/h3-9H,1-2H3,(H,17,19)
InChIKeyBUWAJSRNPPZHGP-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)benzamide
CID 53143120
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
3-fluoro-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143326
3-methoxy-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143279
2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
CID 9467401
(2R)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095096
(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095095
2-(3,5-dimethoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143312
2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 53143270
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390
5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
CID 53143297
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide (CID 53143283) is 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2cc(-c3ccsc3)no2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide?
The InChIKey is BUWAJSRNPPZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-3-4-13(11(2)7-10)16(19)17-15-8-14(18-20-15)12-5-6-21-9-12/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide?
2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 53143283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).