5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

C13H16N4O2 — CID 5309956

IUPAC5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(C2CC2)on1
InChIInChI=1S/C13H16N4O2/c18-13(11-8-12(19-16-11)10-2-3-10)15-4-1-6-17-7-5-14-9-17/h5,7-10H,1-4,6H2,(H,15,18)
InChIKeyVFMFZQWPRNJRGW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds6

About 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309956) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5309956
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(C2CC2)on1
InChIInChI=1S/C13H16N4O2/c18-13(11-8-12(19-16-11)10-2-3-10)15-4-1-6-17-7-5-14-9-17/h5,7-10H,1-4,6H2,(H,15,18)
InChIKeyVFMFZQWPRNJRGW-UHFFFAOYSA-N
XLogP1.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 5309956) is 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VFMFZQWPRNJRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(11-8-12(19-16-11)10-2-3-10)15-4-1-6-17-7-5-14-9-17/h5,7-10H,1-4,6H2,(H,15,18).
What are the key properties of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).