N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide

C13H18N2O5 — CID 90534194

IUPACN-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C13H18N2O5/c16-11(14-8-10-2-1-5-20-10)12(17)15-9-13(18)3-6-19-7-4-13/h1-2,5,18H,3-4,6-9H2,(H,14,16)(H,15,17)
InChIKeyDSVZZYYQYJFBMP-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.45
Rot. Bonds4

About N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide

N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide (PubChem CID 90534194) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide
PubChem CID90534194
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccco1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C13H18N2O5/c16-11(14-8-10-2-1-5-20-10)12(17)15-9-13(18)3-6-19-7-4-13/h1-2,5,18H,3-4,6-9H2,(H,14,16)(H,15,17)
InChIKeyDSVZZYYQYJFBMP-UHFFFAOYSA-N
XLogP-0.45
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea
CID 171675218
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 111444517
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430660
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide (CID 90534194) is N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide is O=C(NCc1ccco1)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide?
The InChIKey is DSVZZYYQYJFBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c16-11(14-8-10-2-1-5-20-10)12(17)15-9-13(18)3-6-19-7-4-13/h1-2,5,18H,3-4,6-9H2,(H,14,16)(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide has a molecular weight of 282.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide is sourced from PubChem (CID 90534194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).