N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide

C11H13F3N2O4 — CID 71787760

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-16-10(19)9(18)15-4-3-7(17)8-2-1-5-20-8/h1-2,5,7,17H,3-4,6H2,(H,15,18)(H,16,19)
InChIKeyWJSFBUYQMOEDQW-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.50
Rot. Bonds5

About N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 71787760) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID71787760
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-16-10(19)9(18)15-4-3-7(17)8-2-1-5-20-8/h1-2,5,7,17H,3-4,6H2,(H,15,18)(H,16,19)
InChIKeyWJSFBUYQMOEDQW-UHFFFAOYSA-N
XLogP0.50
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.50
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-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 71787760) is N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide is O=C(NCCC(O)c1ccco1)C(=O)NCC(F)(F)F.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is WJSFBUYQMOEDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)6-16-10(19)9(18)15-4-3-7(17)8-2-1-5-20-8/h1-2,5,7,17H,3-4,6H2,(H,15,18)(H,16,19).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 294.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 71787760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).