N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C11H13F3N2O3 — CID 56765616

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCc1cc(CNC(=O)C(=O)NCC(F)(F)F)c(C)o1
InChIInChI=1S/C11H13F3N2O3/c1-6-3-8(7(2)19-6)4-15-9(17)10(18)16-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOXGIWDZYSRKRBA-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.19
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 56765616) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID56765616
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCc1cc(CNC(=O)C(=O)NCC(F)(F)F)c(C)o1
InChIInChI=1S/C11H13F3N2O3/c1-6-3-8(7(2)19-6)4-15-9(17)10(18)16-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOXGIWDZYSRKRBA-UHFFFAOYSA-N
XLogP1.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 56765616) is N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is Cc1cc(CNC(=O)C(=O)NCC(F)(F)F)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is OXGIWDZYSRKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6-3-8(7(2)19-6)4-15-9(17)10(18)16-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 278.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 56765616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).