3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole

C21H33N5O2 — CID 91920798

IUPAC3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCn1cc(CN2CCCCC2c2nc(CCOCC3CCCC3)no2)cn1
InChIInChI=1S/C21H33N5O2/c1-2-26-15-18(13-22-26)14-25-11-6-5-9-19(25)21-23-20(24-28-21)10-12-27-16-17-7-3-4-8-17/h13,15,17,19H,2-12,14,16H2,1H3
InChIKeyQPHPXGYBNXCNLX-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.76
Rot. Bonds9

About 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole

3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 91920798) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID91920798
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCn1cc(CN2CCCCC2c2nc(CCOCC3CCCC3)no2)cn1
InChIInChI=1S/C21H33N5O2/c1-2-26-15-18(13-22-26)14-25-11-6-5-9-19(25)21-23-20(24-28-21)10-12-27-16-17-7-3-4-8-17/h13,15,17,19H,2-12,14,16H2,1H3
InChIKeyQPHPXGYBNXCNLX-UHFFFAOYSA-N
XLogP3.76
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole (CID 91920798) is 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole is CCn1cc(CN2CCCCC2c2nc(CCOCC3CCCC3)no2)cn1.
What is the InChIKey of 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is QPHPXGYBNXCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-2-26-15-18(13-22-26)14-25-11-6-5-9-19(25)21-23-20(24-28-21)10-12-27-16-17-7-3-4-8-17/h13,15,17,19H,2-12,14,16H2,1H3.
What are the key properties of 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 387.53 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethoxy)ethyl]-5-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 91920798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).