N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C15H15N3O5 — CID 2251003

IUPACN-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O
InChIInChI=1S/C15H15N3O5/c1-22-12-6-2-4-10(13(12)19)8-17-18-15(21)14(20)16-9-11-5-3-7-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21)
InChIKeyUZQFDTKIEOHUBY-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 2251003) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID2251003
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O
InChIInChI=1S/C15H15N3O5/c1-22-12-6-2-4-10(13(12)19)8-17-18-15(21)14(20)16-9-11-5-3-7-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21)
InChIKeyUZQFDTKIEOHUBY-UHFFFAOYSA-N
XLogP0.76
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 2251003) is N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is UZQFDTKIEOHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-22-12-6-2-4-10(13(12)19)8-17-18-15(21)14(20)16-9-11-5-3-7-23-11/h2-8,19H,9H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 317.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 2251003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).