1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol

C18H17FN4O2 — CID 56769930

IUPAC1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1
InChIInChI=1S/C18H17FN4O2/c19-14-4-1-12(2-5-14)17-21-18(25-22-17)13-3-6-16(20-11-13)23-9-7-15(24)8-10-23/h1-6,11,15,24H,7-10H2
InChIKeyUUXRPEPWHLYXON-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol

1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol (PubChem CID 56769930) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
PubChem CID56769930
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1
InChIInChI=1S/C18H17FN4O2/c19-14-4-1-12(2-5-14)17-21-18(25-22-17)13-3-6-16(20-11-13)23-9-7-15(24)8-10-23/h1-6,11,15,24H,7-10H2
InChIKeyUUXRPEPWHLYXON-UHFFFAOYSA-N
XLogP2.90
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769912
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
CID 56769926
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
3-phenyl-5-(6-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53037161
1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 138018641
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892380
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 53126761
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol (CID 56769930) is 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)CC1.
What is the InChIKey of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is UUXRPEPWHLYXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-4-1-12(2-5-14)17-21-18(25-22-17)13-3-6-16(20-11-13)23-9-7-15(24)8-10-23/h1-6,11,15,24H,7-10H2.
What are the key properties of 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol?
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 340.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 56769930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).