[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C17H18FN5O2 — CID 70986997

IUPAC[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2noc(C3CC=NN3)n2)C1
InChIInChI=1S/C17H18FN5O2/c18-13-5-3-11(4-6-13)17(24)23-9-1-2-12(10-23)15-20-16(25-22-15)14-7-8-19-21-14/h3-6,8,12,14,21H,1-2,7,9-10H2
InChIKeyACQQFTSZHFMWMV-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.25
Rot. Bonds3

About [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 70986997) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID70986997
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2noc(C3CC=NN3)n2)C1
InChIInChI=1S/C17H18FN5O2/c18-13-5-3-11(4-6-13)17(24)23-9-1-2-12(10-23)15-20-16(25-22-15)14-7-8-19-21-14/h3-6,8,12,14,21H,1-2,7,9-10H2
InChIKeyACQQFTSZHFMWMV-UHFFFAOYSA-N
XLogP2.25
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 59140444
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120960207
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59556423
(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68522779
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15948111

Frequently Asked Questions

What is the IUPAC name of [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 70986997) is [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(c2noc(C3CC=NN3)n2)C1.
What is the InChIKey of [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ACQQFTSZHFMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-5-3-11(4-6-13)17(24)23-9-1-2-12(10-23)15-20-16(25-22-15)14-7-8-19-21-14/h3-6,8,12,14,21H,1-2,7,9-10H2.
What are the key properties of [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 343.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 70986997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).