2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole

C20H24ClN5O2 — CID 118797271

IUPAC2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nn(C)c(C)c1Cc1nnc(-c2cc(Cl)ccc2OC2CCNCC2)o1
InChIInChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3
InChIKeyAYWNZLSZEHOECC-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.46
Rot. Bonds5

About 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole

2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 118797271) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID118797271
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nn(C)c(C)c1Cc1nnc(-c2cc(Cl)ccc2OC2CCNCC2)o1
InChIInChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3
InChIKeyAYWNZLSZEHOECC-UHFFFAOYSA-N
XLogP3.46
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole (CID 118797271) is 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole is Cc1nn(C)c(C)c1Cc1nnc(-c2cc(Cl)ccc2OC2CCNCC2)o1.
What is the InChIKey of 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is AYWNZLSZEHOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-12-16(13(2)26(3)25-12)11-19-23-24-20(28-19)17-10-14(21)4-5-18(17)27-15-6-8-22-9-7-15/h4-5,10,15,22H,6-9,11H2,1-3H3.
What are the key properties of 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 401.90 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-piperidin-4-yloxyphenyl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 118797271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).