N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C15H16F3N3O3 — CID 2861174

IUPACN-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCC1CCCO1)C(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)12-6-2-1-4-10(12)8-20-21-14(23)13(22)19-9-11-5-3-7-24-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,19,22)(H,21,23)
InChIKeyQZNXFCIXUVNUCO-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.45
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 2861174) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID2861174
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCC1CCCO1)C(=O)NN=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)12-6-2-1-4-10(12)8-20-21-14(23)13(22)19-9-11-5-3-7-24-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,19,22)(H,21,23)
InChIKeyQZNXFCIXUVNUCO-UHFFFAOYSA-N
XLogP1.45
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-Methoxy-ethyl)-2-oxo-2-[N'-(2-trifluoromethyl-benzylidene)-hydrazino]-acetamide
CID 9593473
2-[2-(3-chlorobenzylidene)hydrazino]-2-oxo-N-(tetrahydro-2-furanylmethyl)acetamide
CID 5336011
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 18584222
N-(2-methoxyethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3117762
2-oxo-N-(tetrahydro-2-furanylmethyl)-2-{2-[2-(trifluoromethyl)benzylidene]hydrazino}acetamide
CID 9567009
2-morpholin-4-ium-4-yl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5168189
N-cyclopentyl-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 5177585
N-[[(2R)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 5657296
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 5657297
N-(2-methoxyethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 5759922
2-morpholin-4-ium-4-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6289749
N-cyclopentyl-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 6292398

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 2861174) is N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(NCC1CCCO1)C(=O)NN=Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is QZNXFCIXUVNUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)12-6-2-1-4-10(12)8-20-21-14(23)13(22)19-9-11-5-3-7-24-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,19,22)(H,21,23).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 343.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 2861174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).