3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide

C15H15N3O3S — CID 33313345

IUPAC3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H15N3O3S/c1-3-11-13(9(2)21-18-11)14(19)16-7-10-8-20-15(17-10)12-5-4-6-22-12/h4-6,8H,3,7H2,1-2H3,(H,16,19)
InChIKeyDKAALVAFKTXWDB-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.19
Rot. Bonds5

About 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 33313345) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID33313345
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C15H15N3O3S/c1-3-11-13(9(2)21-18-11)14(19)16-7-10-8-20-15(17-10)12-5-4-6-22-12/h4-6,8H,3,7H2,1-2H3,(H,16,19)
InChIKeyDKAALVAFKTXWDB-UHFFFAOYSA-N
XLogP3.19
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 17173767
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 24608415
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
CID 78832475
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111591021
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 30338040

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 33313345) is 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DKAALVAFKTXWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-3-11-13(9(2)21-18-11)14(19)16-7-10-8-20-15(17-10)12-5-4-6-22-12/h4-6,8H,3,7H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 33313345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).