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

C25H22F3N5O2 — CID 10227708

IUPAC[2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cc(F)cc(F)c3)o2)n1
InChIInChI=1S/C25H22F3N5O2/c1-32-14-21(15-5-7-17(26)8-6-15)23(31-32)25(34)33-9-3-2-4-20(33)13-22-29-30-24(35-22)16-10-18(27)12-19(28)11-16/h5-8,10-12,14,20H,2-4,9,13H2,1H3
InChIKeyGAYKMIYQAVXJJE-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.79
Rot. Bonds5

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

[2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (PubChem CID 10227708) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
PubChem CID10227708
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name[2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cc(F)cc(F)c3)o2)n1
InChIInChI=1S/C25H22F3N5O2/c1-32-14-21(15-5-7-17(26)8-6-15)23(31-32)25(34)33-9-3-2-4-20(33)13-22-29-30-24(35-22)16-10-18(27)12-19(28)11-16/h5-8,10-12,14,20H,2-4,9,13H2,1H3
InChIKeyGAYKMIYQAVXJJE-UHFFFAOYSA-N
XLogP4.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (CID 10227708) is [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCCCC2Cc2nnc(-c3cc(F)cc(F)c3)o2)n1.
What is the InChIKey of [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is GAYKMIYQAVXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-32-14-21(15-5-7-17(26)8-6-15)23(31-32)25(34)33-9-3-2-4-20(33)13-22-29-30-24(35-22)16-10-18(27)12-19(28)11-16/h5-8,10-12,14,20H,2-4,9,13H2,1H3.
What are the key properties of [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
[2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 481.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 10227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).