5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide

C20H20N4O3 — CID 55958481

IUPAC5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1nccn1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C20H20N4O3/c1-15-22-10-12-24(15)11-4-9-23-20(25)19-8-7-17(27-19)14-26-18-6-3-2-5-16(18)13-21/h2-3,5-8,10,12H,4,9,11,14H2,1H3,(H,23,25)
InChIKeyMMOSHQGOXGNLFZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.06
Rot. Bonds8

About 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 55958481) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
PubChem CID55958481
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1nccn1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C20H20N4O3/c1-15-22-10-12-24(15)11-4-9-23-20(25)19-8-7-17(27-19)14-26-18-6-3-2-5-16(18)13-21/h2-3,5-8,10,12H,4,9,11,14H2,1H3,(H,23,25)
InChIKeyMMOSHQGOXGNLFZ-UHFFFAOYSA-N
XLogP3.06
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-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

5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55826911
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467609
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19325796
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19295408

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide (CID 55958481) is 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide is Cc1nccn1CCCNC(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is MMOSHQGOXGNLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-15-22-10-12-24(15)11-4-9-23-20(25)19-8-7-17(27-19)14-26-18-6-3-2-5-16(18)13-21/h2-3,5-8,10,12H,4,9,11,14H2,1H3,(H,23,25).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 55958481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).