N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide

C11H13F3N2O4 — CID 71782606

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccco1
InChIInChI=1S/C11H13F3N2O4/c1-10(19,7-3-2-4-20-7)5-15-8(17)9(18)16-6-11(12,13)14/h2-4,19H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyMUWBPJLUEYGMHJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.28
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 71782606) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID71782606
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccco1
InChIInChI=1S/C11H13F3N2O4/c1-10(19,7-3-2-4-20-7)5-15-8(17)9(18)16-6-11(12,13)14/h2-4,19H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyMUWBPJLUEYGMHJ-UHFFFAOYSA-N
XLogP0.28
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 71782606) is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide is CC(O)(CNC(=O)C(=O)NCC(F)(F)F)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is MUWBPJLUEYGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-10(19,7-3-2-4-20-7)5-15-8(17)9(18)16-6-11(12,13)14/h2-4,19H,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 294.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 71782606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).