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

C24H22FN5O2 — CID 10203024

IUPAC[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CCCCC1Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C24H22FN5O2/c25-18-8-5-7-17(15-18)23-28-27-22(32-23)16-19-9-3-4-13-29(19)24(31)20-10-1-2-11-21(20)30-14-6-12-26-30/h1-2,5-8,10-12,14-15,19H,3-4,9,13,16H2
InChIKeyMUKDDBMQCPORMM-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.30
Rot. Bonds5

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

[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 10203024) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID10203024
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1-n1cccn1)N1CCCCC1Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C24H22FN5O2/c25-18-8-5-7-17(15-18)23-28-27-22(32-23)16-19-9-3-4-13-29(19)24(31)20-10-1-2-11-21(20)30-14-6-12-26-30/h1-2,5-8,10-12,14-15,19H,3-4,9,13,16H2
InChIKeyMUKDDBMQCPORMM-UHFFFAOYSA-N
XLogP4.30
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2108242
2-[3-(4-Nitrophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934258
N-(2-phenylphenyl)-8-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 137656518
2-(1,3-Diphenyl-1H-pyrazol-4-yl)-5-phenyl-1,3,4-oxadiazole
CID 46934113
[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566116
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71566192
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90442497
5-(2-Amino-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid 4-pyrazol-1-ylmethylbenzylamide
CID 45272210
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934115
2-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643437
2-(4-Chlorophenyl)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 90643439
2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 985777

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 10203024) is [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is O=C(c1ccccc1-n1cccn1)N1CCCCC1Cc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is MUKDDBMQCPORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-18-8-5-7-17(15-18)23-28-27-22(32-23)16-19-9-3-4-13-29(19)24(31)20-10-1-2-11-21(20)30-14-6-12-26-30/h1-2,5-8,10-12,14-15,19H,3-4,9,13,16H2.
What are the key properties of [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 431.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 10203024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).