1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one

C16H14FN3O2 — CID 58128748

IUPAC1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one
SMILESO=C(CCCn1cccn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H14FN3O2/c17-13-6-4-12(5-7-13)16-11-14(19-22-16)15(21)3-1-9-20-10-2-8-18-20/h2,4-8,10-11H,1,3,9H2
InChIKeyVZQLUPWVKSGMQW-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.34
Rot. Bonds6

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

1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 58128748) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID58128748
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one
SMILESO=C(CCCn1cccn1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C16H14FN3O2/c17-13-6-4-12(5-7-13)16-11-14(19-22-16)15(21)3-1-9-20-10-2-8-18-20/h2,4-8,10-11H,1,3,9H2
InChIKeyVZQLUPWVKSGMQW-UHFFFAOYSA-N
XLogP3.34
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3159574
5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 6484393
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-3-yl]-1-isoxazol-3-yl-heptan-1-one
CID 155925021
5-(1,3-dimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 3161121
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5093515
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
CID 24980480
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylic acid
CID 24980534
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-4-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 156010930
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
US11306078, Example 4.043
CID 141677999

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one (CID 58128748) is 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one is O=C(CCCn1cccn1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is VZQLUPWVKSGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-6-4-12(5-7-13)16-11-14(19-22-16)15(21)3-1-9-20-10-2-8-18-20/h2,4-8,10-11H,1,3,9H2.
What are the key properties of 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one?
1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 299.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 58128748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).