N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide

C20H19F3N2O4 — CID 59652467

IUPACN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)19(27)10-17(25-29-19)16-8-6-14(7-9-16)11-24-18(26)13-28-12-15-4-2-1-3-5-15/h1-9,27H,10-13H2,(H,24,26)
InChIKeyHZNYVCVKUXMCSU-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.89
Rot. Bonds7

About N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide

N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide (PubChem CID 59652467) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide
PubChem CID59652467
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)19(27)10-17(25-29-19)16-8-6-14(7-9-16)11-24-18(26)13-28-12-15-4-2-1-3-5-15/h1-9,27H,10-13H2,(H,24,26)
InChIKeyHZNYVCVKUXMCSU-UHFFFAOYSA-N
XLogP2.89
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-naphthalen-1-ylurea
CID 25029773
1-(2-fluorophenyl)-3-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652670
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652618
4-(dimethylamino)-N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652547
3-[4-[(phenylsulfonimidoyl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412933
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 59652606
3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413344
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 59652657

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide (CID 59652467) is N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide?
The InChIKey is HZNYVCVKUXMCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)19(27)10-17(25-29-19)16-8-6-14(7-9-16)11-24-18(26)13-28-12-15-4-2-1-3-5-15/h1-9,27H,10-13H2,(H,24,26).
What are the key properties of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide?
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide has a molecular weight of 408.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 59652467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).