N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide

C14H16N4O2 — CID 3107634

IUPACN-(3-imidazol-1-ylpropyl)-N'-phenyloxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,19)(H,17,20)
InChIKeySXUOVYKRAILNRY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.03
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide

N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide (PubChem CID 3107634) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N'-phenyloxamide
PubChem CID3107634
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-N'-phenyloxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H16N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,19)(H,17,20)
InChIKeySXUOVYKRAILNRY-UHFFFAOYSA-N
XLogP1.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.03
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-imidazol-1-ylpropyl)-N'-phenyloxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide (CID 3107634) is N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide is O=C(NCCCn1ccnc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide?
The InChIKey is SXUOVYKRAILNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(14(20)17-12-5-2-1-3-6-12)16-7-4-9-18-10-8-15-11-18/h1-3,5-6,8,10-11H,4,7,9H2,(H,16,19)(H,17,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide?
N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide has a molecular weight of 272.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N'-phenyloxamide is sourced from PubChem (CID 3107634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).