N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C15H17FN4O2 — CID 7585163

IUPACN'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1F
InChIInChI=1S/C15H17FN4O2/c1-11-3-4-12(9-13(11)16)19-15(22)14(21)18-5-2-7-20-8-6-17-10-20/h3-4,6,8-10H,2,5,7H2,1H3,(H,18,21)(H,19,22)
InChIKeyOFQTXQSOSTZENZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.48
Rot. Bonds5

About N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide

N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 7585163) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID7585163
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1F
InChIInChI=1S/C15H17FN4O2/c1-11-3-4-12(9-13(11)16)19-15(22)14(21)18-5-2-7-20-8-6-17-10-20/h3-4,6,8-10H,2,5,7H2,1H3,(H,18,21)(H,19,22)
InChIKeyOFQTXQSOSTZENZ-UHFFFAOYSA-N
XLogP1.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 7585163) is N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is OFQTXQSOSTZENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11-3-4-12(9-13(11)16)19-15(22)14(21)18-5-2-7-20-8-6-17-10-20/h3-4,6,8-10H,2,5,7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 304.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 7585163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).