3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole

C19H17FN4O3 — CID 133284927

IUPAC3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccccc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H17FN4O3/c20-15-9-7-13(8-10-15)18-21-19(27-22-18)14-4-3-11-23(12-14)16-5-1-2-6-17(16)24(25)26/h1-2,5-10,14H,3-4,11-12H2
InChIKeyRQTUFRJEBZTRAA-UHFFFAOYSA-N
MW368.37 g/mol
LogP4.17
Rot. Bonds4

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

3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 133284927) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID133284927
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1ccccc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H17FN4O3/c20-15-9-7-13(8-10-15)18-21-19(27-22-18)14-4-3-11-23(12-14)16-5-1-2-6-17(16)24(25)26/h1-2,5-10,14H,3-4,11-12H2
InChIKeyRQTUFRJEBZTRAA-UHFFFAOYSA-N
XLogP4.17
TPSA85.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282045
methyl (E)-3-[4-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-nitrophenyl]prop-2-enoate
CID 52501996
N,N-dimethyl-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497591
3-(4-fluorophenyl)-5-[1-(5-nitro-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133282085
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3225907
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
5-[(3R)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453786
5-[(3S)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453789
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 86934501
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 133284927) is 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole is O=[N+]([O-])c1ccccc1N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RQTUFRJEBZTRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-15-9-7-13(8-10-15)18-21-19(27-22-18)14-4-3-11-23(12-14)16-5-1-2-6-17(16)24(25)26/h1-2,5-10,14H,3-4,11-12H2.
What are the key properties of 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 368.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[1-(2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133284927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).