2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

C17H12F3N3O4S — CID 52907988

IUPAC2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C17H12F3N3O4S/c18-17(19,20)27-12-5-2-1-4-10(12)8-21-14(24)11-9-26-16(22-11)23-15(25)13-6-3-7-28-13/h1-7,9H,8H2,(H,21,24)(H,22,23,25)
InChIKeyXJCJESQBVDOOPL-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.82
Rot. Bonds6

About 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 52907988) has the molecular formula C17H12F3N3O4S and a molecular weight of 411.36 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID52907988
Molecular FormulaC17H12F3N3O4S
Molecular Weight411.36 g/mol
Exact Mass411.05
IUPAC Name2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C17H12F3N3O4S/c18-17(19,20)27-12-5-2-1-4-10(12)8-21-14(24)11-9-26-16(22-11)23-15(25)13-6-3-7-28-13/h1-7,9H,8H2,(H,21,24)(H,22,23,25)
InChIKeyXJCJESQBVDOOPL-UHFFFAOYSA-N
XLogP3.82
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-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

N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 52907988) is 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1coc(NC(=O)c2cccs2)n1.
What is the InChIKey of 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XJCJESQBVDOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4S/c18-17(19,20)27-12-5-2-1-4-10(12)8-21-14(24)11-9-26-16(22-11)23-15(25)13-6-3-7-28-13/h1-7,9H,8H2,(H,21,24)(H,22,23,25).
What are the key properties of 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 411.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).