N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide

C15H18N4O3 — CID 2914863

IUPACN-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H18N4O3/c1-22-13-5-2-4-12(10-13)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyOFGIIBIGBMDZFJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.04
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide

N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 2914863) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID2914863
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C15H18N4O3/c1-22-13-5-2-4-12(10-13)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyOFGIIBIGBMDZFJ-UHFFFAOYSA-N
XLogP1.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide (CID 2914863) is N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is OFGIIBIGBMDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-13-5-2-4-12(10-13)18-15(21)14(20)17-6-3-8-19-9-7-16-11-19/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide?
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 302.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 2914863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).