3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole

C17H18FN5O2 — CID 120955905

IUPAC3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(OCc2noc(C3(n4cccn4)CCNCC3)n2)cc1
InChIInChI=1S/C17H18FN5O2/c18-13-2-4-14(5-3-13)24-12-15-21-16(25-22-15)17(6-9-19-10-7-17)23-11-1-8-20-23/h1-5,8,11,19H,6-7,9-10,12H2
InChIKeyDOYSKJXWJGLBOS-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.11
Rot. Bonds5

About 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole

3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 120955905) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID120955905
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(OCc2noc(C3(n4cccn4)CCNCC3)n2)cc1
InChIInChI=1S/C17H18FN5O2/c18-13-2-4-14(5-3-13)24-12-15-21-16(25-22-15)17(6-9-19-10-7-17)23-11-1-8-20-23/h1-5,8,11,19H,6-7,9-10,12H2
InChIKeyDOYSKJXWJGLBOS-UHFFFAOYSA-N
XLogP2.11
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 120955905) is 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole is Fc1ccc(OCc2noc(C3(n4cccn4)CCNCC3)n2)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is DOYSKJXWJGLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-13-2-4-14(5-3-13)24-12-15-21-16(25-22-15)17(6-9-19-10-7-17)23-11-1-8-20-23/h1-5,8,11,19H,6-7,9-10,12H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 343.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120955905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).