N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H17F3N2O3 — CID 71884657

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1C(F)(F)F)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-5-4-8-13(14)16(25)11-23-18(26)15-10-17(27-24-15)12-6-2-1-3-7-12/h1-9,16-17,25H,10-11H2,(H,23,26)
InChIKeyMKUMFZFFNZATRV-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.37
Rot. Bonds5

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 71884657) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID71884657
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1C(F)(F)F)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-5-4-8-13(14)16(25)11-23-18(26)15-10-17(27-24-15)12-6-2-1-3-7-12/h1-9,16-17,25H,10-11H2,(H,23,26)
InChIKeyMKUMFZFFNZATRV-UHFFFAOYSA-N
XLogP3.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-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

(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
trans-(1R,2R)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 100842374
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 75364314
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 94810445

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 71884657) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC(O)c1ccccc1C(F)(F)F)C1=NOC(c2ccccc2)C1.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is MKUMFZFFNZATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-5-4-8-13(14)16(25)11-23-18(26)15-10-17(27-24-15)12-6-2-1-3-7-12/h1-9,16-17,25H,10-11H2,(H,23,26).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71884657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).