1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide

C14H17N3O6 — CID 90512076

IUPAC1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H17N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyMXJOQYFZLBTDEO-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.56
Rot. Bonds5

About 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide

1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 90512076) has the molecular formula C14H17N3O6 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
PubChem CID90512076
Molecular FormulaC14H17N3O6
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H17N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyMXJOQYFZLBTDEO-UHFFFAOYSA-N
XLogP0.56
TPSA114.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-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-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
2-[(4-nitrophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7334040
N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511996

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide (CID 90512076) is 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide is O=C(NCC1CCCO1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is MXJOQYFZLBTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h3-4,9-10H,1-2,5-8H2,(H,15,18).
What are the key properties of 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide?
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).