N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide

C14H12F3N3O4 — CID 56765497

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1
InChIInChI=1S/C14H12F3N3O4/c15-14(16,17)9-3-1-8(2-4-9)10(21)7-18-12(22)13(23)19-11-5-6-24-20-11/h1-6,10,21H,7H2,(H,18,22)(H,19,20,23)
InChIKeyXTOANEUQPXLHSX-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.48
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 56765497) has the molecular formula C14H12F3N3O4 and a molecular weight of 343.26 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID56765497
Molecular FormulaC14H12F3N3O4
Molecular Weight343.26 g/mol
Exact Mass343.08
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1
InChIInChI=1S/C14H12F3N3O4/c15-14(16,17)9-3-1-8(2-4-9)10(21)7-18-12(22)13(23)19-11-5-6-24-20-11/h1-6,10,21H,7H2,(H,18,22)(H,19,20,23)
InChIKeyXTOANEUQPXLHSX-UHFFFAOYSA-N
XLogP1.48
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 56765497) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccon1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is XTOANEUQPXLHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O4/c15-14(16,17)9-3-1-8(2-4-9)10(21)7-18-12(22)13(23)19-11-5-6-24-20-11/h1-6,10,21H,7H2,(H,18,22)(H,19,20,23).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 343.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 56765497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).