N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide

C15H18N2O4 — CID 134547043

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide
SMILESCc1ccc(CNC(=O)C2OC2NCc2ccc(C)o2)o1
InChIInChI=1S/C15H18N2O4/c1-9-3-5-11(19-9)7-16-14(18)13-15(21-13)17-8-12-6-4-10(2)20-12/h3-6,13,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyXREATGIUCUZOQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.62
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide (PubChem CID 134547043) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide
PubChem CID134547043
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide
SMILESCc1ccc(CNC(=O)C2OC2NCc2ccc(C)o2)o1
InChIInChI=1S/C15H18N2O4/c1-9-3-5-11(19-9)7-16-14(18)13-15(21-13)17-8-12-6-4-10(2)20-12/h3-6,13,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyXREATGIUCUZOQC-UHFFFAOYSA-N
XLogP1.62
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
N,N'-Difurfuryloxamide
CID 330826
N-[2-(2-furoylamino)-1-methylethyl]-2-furamide
CID 2837020
3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 651138
N-(furan-2-ylmethyl)-5-methylfuran-2-carboxamide
CID 897187
N-[2-(furan-2-carbonylamino)ethyl]furan-2-carboxamide
CID 1899839
2-Furancarboxamide, N-tetrahydrofurfuryl-
CID 531892
N-[2-(2-furoylamino)cyclohexyl]-2-furamide
CID 652228
Furan-2-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 656068
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
5-methyl-N-[4-[(5-methylfuran-2-carbonyl)amino]butyl]furan-2-carboxamide
CID 1754370
(2E)-3-(furan-2-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 947481

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide (CID 134547043) is N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide is Cc1ccc(CNC(=O)C2OC2NCc2ccc(C)o2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide?
The InChIKey is XREATGIUCUZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-3-5-11(19-9)7-16-14(18)13-15(21-13)17-8-12-6-4-10(2)20-12/h3-6,13,15,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[(5-methylfuran-2-yl)methylamino]oxirane-2-carboxamide is sourced from PubChem (CID 134547043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).