N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide

C13H13N3O4 — CID 5237010

IUPACN-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)NCc2ccco2)o1
InChIInChI=1S/C13H13N3O4/c1-9-4-5-11(20-9)8-15-16-13(18)12(17)14-7-10-3-2-6-19-10/h2-6,8H,7H2,1H3,(H,14,17)(H,16,18)
InChIKeyMHNBJTYQTIAMIG-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.95
Rot. Bonds4

About N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide (PubChem CID 5237010) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
PubChem CID5237010
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)NCc2ccco2)o1
InChIInChI=1S/C13H13N3O4/c1-9-4-5-11(20-9)8-15-16-13(18)12(17)14-7-10-3-2-6-19-10/h2-6,8H,7H2,1H3,(H,14,17)(H,16,18)
InChIKeyMHNBJTYQTIAMIG-UHFFFAOYSA-N
XLogP0.95
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]oxamide
CID 9352807
ethyl 4-[5-[(Z)-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 9352907
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 3639145
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
1-(furan-2-ylmethyl)-3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9396679
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide (CID 5237010) is N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide is Cc1ccc(C=NNC(=O)C(=O)NCc2ccco2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide?
The InChIKey is MHNBJTYQTIAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-9-4-5-11(20-9)8-15-16-13(18)12(17)14-7-10-3-2-6-19-10/h2-6,8H,7H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide has a molecular weight of 275.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 5237010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).