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

C19H17F3N2O4 — CID 59652477

IUPACN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)18(26)10-16(24-28-18)14-6-8-15(9-7-14)23-17(25)12-27-11-13-4-2-1-3-5-13/h1-9,26H,10-12H2,(H,23,25)
InChIKeySKTLXGNGKIWEGC-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.22
Rot. Bonds6

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

N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide (PubChem CID 59652477) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide
PubChem CID59652477
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)18(26)10-16(24-28-18)14-6-8-15(9-7-14)23-17(25)12-27-11-13-4-2-1-3-5-13/h1-9,26H,10-12H2,(H,23,25)
InChIKeySKTLXGNGKIWEGC-UHFFFAOYSA-N
XLogP3.22
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide (CID 59652477) is N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1ccc(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]-2-phenylmethoxyacetamide?
The InChIKey is SKTLXGNGKIWEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c20-19(21,22)18(26)10-16(24-28-18)14-6-8-15(9-7-14)23-17(25)12-27-11-13-4-2-1-3-5-13/h1-9,26H,10-12H2,(H,23,25).
What are the key properties of N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide?
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 394.35 g/mol, XLogP of 3.22, 6 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]-2-phenylmethoxyacetamide is sourced from PubChem (CID 59652477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).