5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide

C17H17N3O3 — CID 53491397

IUPAC5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccncc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H17N3O3/c21-17(14-12-16(23-20-14)15-5-3-11-22-15)19-8-2-1-4-13-6-9-18-10-7-13/h3,5-7,9-12H,1-2,4,8H2,(H,19,21)
InChIKeyHHXZAPLRXAUTOZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.08
Rot. Bonds7

About 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 53491397) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID53491397
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCc1ccncc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H17N3O3/c21-17(14-12-16(23-20-14)15-5-3-11-22-15)19-8-2-1-4-13-6-9-18-10-7-13/h3,5-7,9-12H,1-2,4,8H2,(H,19,21)
InChIKeyHHXZAPLRXAUTOZ-UHFFFAOYSA-N
XLogP3.08
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.08
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-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide (CID 53491397) is 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide is O=C(NCCCCc1ccncc1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HHXZAPLRXAUTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(14-12-16(23-20-14)15-5-3-11-22-15)19-8-2-1-4-13-6-9-18-10-7-13/h3,5-7,9-12H,1-2,4,8H2,(H,19,21).
What are the key properties of 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53491397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).