2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide

C17H20N2O4 — CID 140637962

IUPAC2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COC2CCCCO2)cc1-c1ccco1
InChIInChI=1S/C17H20N2O4/c18-17(19-20)13-7-6-12(10-14(13)15-4-3-9-21-15)11-23-16-5-1-2-8-22-16/h3-4,6-7,9-10,16,20H,1-2,5,8,11H2,(H2,18,19)
InChIKeyGJLWFQMPIJXPAC-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.08
Rot. Bonds5

About 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide

2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide (PubChem CID 140637962) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
PubChem CID140637962
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COC2CCCCO2)cc1-c1ccco1
InChIInChI=1S/C17H20N2O4/c18-17(19-20)13-7-6-12(10-14(13)15-4-3-9-21-15)11-23-16-5-1-2-8-22-16/h3-4,6-7,9-10,16,20H,1-2,5,8,11H2,(H2,18,19)
InChIKeyGJLWFQMPIJXPAC-UHFFFAOYSA-N
XLogP3.08
TPSA90.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 123146108
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide (CID 140637962) is 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide is N/C(=N/O)c1ccc(COC2CCCCO2)cc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide?
The InChIKey is GJLWFQMPIJXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c18-17(19-20)13-7-6-12(10-14(13)15-4-3-9-21-15)11-23-16-5-1-2-8-22-16/h3-4,6-7,9-10,16,20H,1-2,5,8,11H2,(H2,18,19).
What are the key properties of 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide?
2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide has a molecular weight of 316.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 140637962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).