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

C11H16N4O2 — CID 44999147

IUPACN'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC1CC1
InChIInChI=1S/C11H16N4O2/c16-10(11(17)14-9-2-3-9)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,16)(H,14,17)
InChIKeyXRLDFXIQZKWESV-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.33
Rot. Bonds5

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

N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 44999147) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID44999147
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)NC1CC1
InChIInChI=1S/C11H16N4O2/c16-10(11(17)14-9-2-3-9)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,16)(H,14,17)
InChIKeyXRLDFXIQZKWESV-UHFFFAOYSA-N
XLogP-0.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.33
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'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide (CID 44999147) is N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is XRLDFXIQZKWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(11(17)14-9-2-3-9)13-4-1-6-15-7-5-12-8-15/h5,7-9H,1-4,6H2,(H,13,16)(H,14,17).
What are the key properties of N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide?
N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 236.27 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 44999147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).