5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

C20H18N4O3 — CID 24740092

IUPAC5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1-c1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H18N4O3/c25-20(16-14-18(27-23-16)17-8-4-13-26-17)22-9-5-11-24-12-10-21-19(24)15-6-2-1-3-7-15/h1-4,6-8,10,12-14H,5,9,11H2,(H,22,25)
InChIKeyAMLAYJQEPMEADN-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.62
Rot. Bonds7

About 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 24740092) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID24740092
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1-c1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C20H18N4O3/c25-20(16-14-18(27-23-16)17-8-4-13-26-17)22-9-5-11-24-12-10-21-19(24)15-6-2-1-3-7-15/h1-4,6-8,10,12-14H,5,9,11H2,(H,22,25)
InChIKeyAMLAYJQEPMEADN-UHFFFAOYSA-N
XLogP3.62
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 24740092) is 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCn1ccnc1-c1ccccc1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AMLAYJQEPMEADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(16-14-18(27-23-16)17-8-4-13-26-17)22-9-5-11-24-12-10-21-19(24)15-6-2-1-3-7-15/h1-4,6-8,10,12-14H,5,9,11H2,(H,22,25).
What are the key properties of 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[3-(2-phenylimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24740092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).