N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide

C14H15FN4O2 — CID 2883621

IUPACN'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O2/c15-11-2-4-12(5-3-11)18-14(21)13(20)17-6-1-8-19-9-7-16-10-19/h2-5,7,9-10H,1,6,8H2,(H,17,20)(H,18,21)
InChIKeyJFJXKELSPXNJPL-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.17
Rot. Bonds5

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

N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 2883621) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID2883621
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4O2/c15-11-2-4-12(5-3-11)18-14(21)13(20)17-6-1-8-19-9-7-16-10-19/h2-5,7,9-10H,1,6,8H2,(H,17,20)(H,18,21)
InChIKeyJFJXKELSPXNJPL-UHFFFAOYSA-N
XLogP1.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.17
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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Related Compounds

4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 75443494
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 42649876
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 42536590
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
1-(3-imidazol-1-ylpropyl)-3-(4-methylsulfanylphenyl)thiourea
CID 6539187

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 2883621) is N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is JFJXKELSPXNJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-2-4-12(5-3-11)18-14(21)13(20)17-6-1-8-19-9-7-16-10-19/h2-5,7,9-10H,1,6,8H2,(H,17,20)(H,18,21).
What are the key properties of N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 290.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 2883621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).