3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole

C20H24FN5O — CID 99929696

IUPAC3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@H](c3noc(C)n3)C2)n1
InChIInChI=1S/C20H24FN5O/c1-13-9-14(2)26(23-13)19-7-6-18(21)10-17(19)12-25-8-4-5-16(11-25)20-22-15(3)27-24-20/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
InChIKeyIGDJMDZYWTZCRX-INIZCTEOSA-N
MW369.44 g/mol
LogP3.70
Rot. Bonds4

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

3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 99929696) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID99929696
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@H](c3noc(C)n3)C2)n1
InChIInChI=1S/C20H24FN5O/c1-13-9-14(2)26(23-13)19-7-6-18(21)10-17(19)12-25-8-4-5-16(11-25)20-22-15(3)27-24-20/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
InChIKeyIGDJMDZYWTZCRX-INIZCTEOSA-N
XLogP3.70
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole 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

3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 53015168
N-[[1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 45194598
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
(4R,5R)-7-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165424063
(1S,5R)-3-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56907099
2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50972250
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
3-amino-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56701671
(3R,4R)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134712888
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
CID 71924088

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (CID 99929696) is 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@H](c3noc(C)n3)C2)n1.
What is the InChIKey of 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is IGDJMDZYWTZCRX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-13-9-14(2)26(23-13)19-7-6-18(21)10-17(19)12-25-8-4-5-16(11-25)20-22-15(3)27-24-20/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 369.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 99929696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).