3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C17H18FN5O — CID 51104461

IUPAC3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1
InChIInChI=1S/C17H18FN5O/c18-14-3-1-13(2-4-14)17-20-16(24-22-17)11-23-9-6-12(7-10-23)15-5-8-19-21-15/h1-5,8,12H,6-7,9-11H2,(H,19,21)
InChIKeyULXQFKQWKVVWTH-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.98
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51104461) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51104461
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1
InChIInChI=1S/C17H18FN5O/c18-14-3-1-13(2-4-14)17-20-16(24-22-17)11-23-9-6-12(7-10-23)15-5-8-19-21-15/h1-5,8,12H,6-7,9-11H2,(H,19,21)
InChIKeyULXQFKQWKVVWTH-UHFFFAOYSA-N
XLogP2.98
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 51104461) is 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(CN3CCC(c4ccn[nH]4)CC3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ULXQFKQWKVVWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-14-3-1-13(2-4-14)17-20-16(24-22-17)11-23-9-6-12(7-10-23)15-5-8-19-21-15/h1-5,8,12H,6-7,9-11H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 327.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51104461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).