1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one

C16H14N2O4 — CID 58128762

IUPAC1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one
SMILESO=C(CCCOc1ccccn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O4/c19-13(5-3-10-21-16-7-1-2-8-17-16)12-11-15(22-18-12)14-6-4-9-20-14/h1-2,4,6-9,11H,3,5,10H2
InChIKeyZQLDPZJQEFPQKP-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.37
Rot. Bonds7

About 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one

1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one (PubChem CID 58128762) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one
PubChem CID58128762
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one
SMILESO=C(CCCOc1ccccn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O4/c19-13(5-3-10-21-16-7-1-2-8-17-16)12-11-15(22-18-12)14-6-4-9-20-14/h1-2,4,6-9,11H,3,5,10H2
InChIKeyZQLDPZJQEFPQKP-UHFFFAOYSA-N
XLogP3.37
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one?
The IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one (CID 58128762) is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one is O=C(CCCOc1ccccn1)c1cc(-c2ccco2)on1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one?
The InChIKey is ZQLDPZJQEFPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13(5-3-10-21-16-7-1-2-8-17-16)12-11-15(22-18-12)14-6-4-9-20-14/h1-2,4,6-9,11H,3,5,10H2.
What are the key properties of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one?
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one has a molecular weight of 298.30 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one is sourced from PubChem (CID 58128762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).