(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C20H23FN4O3 — CID 159423303

IUPAC(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc(-c3ccnc(C4CCOC4)c3)no2)CC1)C1(F)CC1
InChIInChI=1S/C20H23FN4O3/c21-20(5-6-20)19(26)25-8-2-13(3-9-25)18-23-17(24-28-18)14-1-7-22-16(11-14)15-4-10-27-12-15/h1,7,11,13,15H,2-6,8-10,12H2
InChIKeyLQALTTNKYNMJHH-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.84
Rot. Bonds4

About (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 159423303) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID159423303
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(N1CCC(c2nc(-c3ccnc(C4CCOC4)c3)no2)CC1)C1(F)CC1
InChIInChI=1S/C20H23FN4O3/c21-20(5-6-20)19(26)25-8-2-13(3-9-25)18-23-17(24-28-18)14-1-7-22-16(11-14)15-4-10-27-12-15/h1,7,11,13,15H,2-6,8-10,12H2
InChIKeyLQALTTNKYNMJHH-UHFFFAOYSA-N
XLogP2.84
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
morpholin-3-yl-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119870816
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420051
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 159423303) is (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is O=C(N1CCC(c2nc(-c3ccnc(C4CCOC4)c3)no2)CC1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is LQALTTNKYNMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-20(5-6-20)19(26)25-8-2-13(3-9-25)18-23-17(24-28-18)14-1-7-22-16(11-14)15-4-10-27-12-15/h1,7,11,13,15H,2-6,8-10,12H2.
What are the key properties of (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159423303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).