5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

C13H13N5O3 — CID 25164314

IUPAC5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1cc(-c2ccoc2)on1
InChIInChI=1S/C13H13N5O3/c19-13(15-3-1-4-18-9-14-8-16-18)11-6-12(21-17-11)10-2-5-20-7-10/h2,5-9H,1,3-4H2,(H,15,19)
InChIKeyMDYKBBNVMONHPZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.35
Rot. Bonds6

About 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide

5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 25164314) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID25164314
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1cc(-c2ccoc2)on1
InChIInChI=1S/C13H13N5O3/c19-13(15-3-1-4-18-9-14-8-16-18)11-6-12(21-17-11)10-2-5-20-7-10/h2,5-9H,1,3-4H2,(H,15,19)
InChIKeyMDYKBBNVMONHPZ-UHFFFAOYSA-N
XLogP1.35
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide
CID 51079280
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
1-(5-thiophen-3-yl-1,2-oxazol-3-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
CID 58128763
1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 47182500
5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24738646
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
1-methyl-3-thiophen-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 91773983
[5-(1H-pyrrol-2-yl)-1,2-oxazol-3-yl] N-[3-(1,2,4-triazol-1-yl)propyl]carbamate
CID 136655995
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 25164314) is 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is O=C(NCCCn1cncn1)c1cc(-c2ccoc2)on1.
What is the InChIKey of 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MDYKBBNVMONHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-13(15-3-1-4-18-9-14-8-16-18)11-6-12(21-17-11)10-2-5-20-7-10/h2,5-9H,1,3-4H2,(H,15,19).
What are the key properties of 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide?
5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25164314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).