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

C18H18FN5O2 — CID 53140898

IUPAC[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2noc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H18FN5O2/c1-23-15(7-8-20-23)18(25)24-9-3-5-13(11-24)16-21-17(26-22-16)12-4-2-6-14(19)10-12/h2,4,6-8,10,13H,3,5,9,11H2,1H3
InChIKeyJXUGNRLEAVTGIK-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.63
Rot. Bonds3

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

[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 53140898) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID53140898
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCCC(c2noc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H18FN5O2/c1-23-15(7-8-20-23)18(25)24-9-3-5-13(11-24)16-21-17(26-22-16)12-4-2-6-14(19)10-12/h2,4,6-8,10,13H,3,5,9,11H2,1H3
InChIKeyJXUGNRLEAVTGIK-UHFFFAOYSA-N
XLogP2.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
5Pam523
CID 46946406
N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72543760
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72699949
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700096
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72700366
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700462
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
5-(1-Benzyl-3-tert-butylpyrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742654

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 53140898) is [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCCC(c2noc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is JXUGNRLEAVTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-23-15(7-8-20-23)18(25)24-9-3-5-13(11-24)16-21-17(26-22-16)12-4-2-6-14(19)10-12/h2,4,6-8,10,13H,3,5,9,11H2,1H3.
What are the key properties of [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 53140898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).