5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C16H10F2N6O2 — CID 127045036

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ncon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C16H10F2N6O2/c17-10-4-2-1-3-9(10)7-24-13(15-20-8-26-23-15)5-12(22-24)14-19-6-11(18)16(25)21-14/h1-6,8H,7H2,(H,19,21,25)
InChIKeySVVVLSQTOPLJQQ-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.01
Rot. Bonds4

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 127045036) has the molecular formula C16H10F2N6O2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID127045036
Molecular FormulaC16H10F2N6O2
Molecular Weight356.29 g/mol
Exact Mass356.08
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ncon3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C16H10F2N6O2/c17-10-4-2-1-3-9(10)7-24-13(15-20-8-26-23-15)5-12(22-24)14-19-6-11(18)16(25)21-14/h1-6,8H,7H2,(H,19,21,25)
InChIKeySVVVLSQTOPLJQQ-UHFFFAOYSA-N
XLogP2.01
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylethanamine
CID 16187279
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 118712638
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 162642965
US11066396, Example 96
CID 132259953
3-[1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl]-5-methyl-1,2,4-oxadiazole
CID 53014959
N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 50780501
3-[1-[(2-Fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,2,4-oxadiazole
CID 68642219
1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 16677752
N-[(4-Fluorophenyl)methyl]-3-(3-methyl-1-phenyl-1H-pyrazol-4-YL)-1,2,4-oxadiazole-5-carboxamide
CID 20931707
3-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(3-phenylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 20931777
N-benzyl-3-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931786
1-(1,3-dimethyl-1H-pyrazol-4-yl)-N-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 127045036) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(-c3ncon3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is SVVVLSQTOPLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O2/c17-10-4-2-1-3-9(10)7-24-13(15-20-8-26-23-15)5-12(22-24)14-19-6-11(18)16(25)21-14/h1-6,8H,7H2,(H,19,21,25).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 356.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-oxadiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 127045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).