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

C15H15FN6O — CID 167788441

IUPAC5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(N3CCC(c4ncn[nH]4)C3)no2)cc1
InChIInChI=1S/C15H15FN6O/c16-12-3-1-10(2-4-12)7-13-19-15(21-23-13)22-6-5-11(8-22)14-17-9-18-20-14/h1-4,9,11H,5-8H2,(H,17,18,20)
InChIKeyUARSWTLTBQFTCA-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.91
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 167788441) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID167788441
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(N3CCC(c4ncn[nH]4)C3)no2)cc1
InChIInChI=1S/C15H15FN6O/c16-12-3-1-10(2-4-12)7-13-19-15(21-23-13)22-6-5-11(8-22)14-17-9-18-20-14/h1-4,9,11H,5-8H2,(H,17,18,20)
InChIKeyUARSWTLTBQFTCA-UHFFFAOYSA-N
XLogP1.91
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
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1-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine
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5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793350
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
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5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
1-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224100
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
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2-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 138001082
[2-[(2-chloro-4-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 175975032
4-methyl-2-pyridin-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 126819355
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole (CID 167788441) is 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole is Fc1ccc(Cc2nc(N3CCC(c4ncn[nH]4)C3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is UARSWTLTBQFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-12-3-1-10(2-4-12)7-13-19-15(21-23-13)22-6-5-11(8-22)14-17-9-18-20-14/h1-4,9,11H,5-8H2,(H,17,18,20).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 314.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167788441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).