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

C16H14N2O3 — CID 58128735

IUPAC1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one
SMILESO=C(CCCc1ccncc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3/c19-14(4-1-3-12-6-8-17-9-7-12)13-11-16(21-18-13)15-5-2-10-20-15/h2,5-11H,1,3-4H2
InChIKeyJQNKNCICKQARFU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.54
Rot. Bonds6

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

1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one (PubChem CID 58128735) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one
PubChem CID58128735
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one
SMILESO=C(CCCc1ccncc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C16H14N2O3/c19-14(4-1-3-12-6-8-17-9-7-12)13-11-16(21-18-13)15-5-2-10-20-15/h2,5-11H,1,3-4H2
InChIKeyJQNKNCICKQARFU-UHFFFAOYSA-N
XLogP3.54
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
5-(furan-2-yl)-N-(4-pyridin-4-ylbutyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 57383747
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-2-yloxybutan-1-one
CID 58128762
5-(furan-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 57383733
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
5-(furan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24739766
3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
5-(furan-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110307679
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
N-ethyl-5-(furan-2-yl)-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 110678671
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79291054

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one?
The IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one (CID 58128735) is 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one is O=C(CCCc1ccncc1)c1cc(-c2ccco2)on1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one?
The InChIKey is JQNKNCICKQARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14(4-1-3-12-6-8-17-9-7-12)13-11-16(21-18-13)15-5-2-10-20-15/h2,5-11H,1,3-4H2.
What are the key properties of 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one?
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one has a molecular weight of 282.30 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-4-pyridin-4-ylbutan-1-one is sourced from PubChem (CID 58128735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).