5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C19H13F5N2O3 — CID 25308523

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C19H13F5N2O3/c20-12-5-6-17(15(21)7-12)28-10-13-8-16(26-29-13)18(27)25-9-11-3-1-2-4-14(11)19(22,23)24/h1-8H,9-10H2,(H,25,27)
InChIKeyVADDMGZYMSJMFB-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.48
Rot. Bonds6

About 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 25308523) has the molecular formula C19H13F5N2O3 and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID25308523
Molecular FormulaC19H13F5N2O3
Molecular Weight412.31 g/mol
Exact Mass412.08
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C19H13F5N2O3/c20-12-5-6-17(15(21)7-12)28-10-13-8-16(26-29-13)18(27)25-9-11-3-1-2-4-14(11)19(22,23)24/h1-8H,9-10H2,(H,25,27)
InChIKeyVADDMGZYMSJMFB-UHFFFAOYSA-N
XLogP4.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-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

5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
5-[(2,4-difluorophenoxy)methyl]-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56712217
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
5-[(2,4-difluorophenoxy)methyl]-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2-oxazole-3-carboxamide
CID 25489866
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25490193
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 42195960
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62450541
5-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56704290
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
5-[(2,6-difluorophenoxy)methyl]-N-(1H-indol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 29183509
5-[(2,3-difluorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214004

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 25308523) is 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VADDMGZYMSJMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O3/c20-12-5-6-17(15(21)7-12)28-10-13-8-16(26-29-13)18(27)25-9-11-3-1-2-4-14(11)19(22,23)24/h1-8H,9-10H2,(H,25,27).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25308523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).