N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide

C16H16N4O4 — CID 122266212

IUPACN-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C16H16N4O4/c21-15(17-10-12-4-1-8-23-12)16(22)18-11-13(14-5-2-9-24-14)20-7-3-6-19-20/h1-9,13H,10-11H2,(H,17,21)(H,18,22)
InChIKeyGWASNTCJSLJRAD-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide

N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide (PubChem CID 122266212) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
PubChem CID122266212
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C16H16N4O4/c21-15(17-10-12-4-1-8-23-12)16(22)18-11-13(14-5-2-9-24-14)20-7-3-6-19-20/h1-9,13H,10-11H2,(H,17,21)(H,18,22)
InChIKeyGWASNTCJSLJRAD-UHFFFAOYSA-N
XLogP1.09
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 119102102
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide (CID 122266212) is N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide is O=C(NCc1ccco1)C(=O)NCC(c1ccco1)n1cccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The InChIKey is GWASNTCJSLJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c21-15(17-10-12-4-1-8-23-12)16(22)18-11-13(14-5-2-9-24-14)20-7-3-6-19-20/h1-9,13H,10-11H2,(H,17,21)(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide has a molecular weight of 328.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide is sourced from PubChem (CID 122266212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).