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

C21H18FN5O2S — CID 121114537

IUPAC[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C21H18FN5O2S/c22-16-5-3-13(4-6-16)17-10-18(24-23-17)21(28)27-8-1-2-14(11-27)19-25-26-20(29-19)15-7-9-30-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,23,24)
InChIKeySKZDHQGVJWSHGO-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.35
Rot. Bonds4

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

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121114537) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121114537
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C21H18FN5O2S/c22-16-5-3-13(4-6-16)17-10-18(24-23-17)21(28)27-8-1-2-14(11-27)19-25-26-20(29-19)15-7-9-30-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,23,24)
InChIKeySKZDHQGVJWSHGO-UHFFFAOYSA-N
XLogP4.35
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121114537) is [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SKZDHQGVJWSHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c22-16-5-3-13(4-6-16)17-10-18(24-23-17)21(28)27-8-1-2-14(11-27)19-25-26-20(29-19)15-7-9-30-12-15/h3-7,9-10,12,14H,1-2,8,11H2,(H,23,24).
What are the key properties of [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121114537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).