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

C17H25N5O2 — CID 91927459

IUPAC3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCCn1cc(CN2CCC(OCc3nc(C4CC4)no3)CC2)cn1
InChIInChI=1S/C17H25N5O2/c1-2-22-11-13(9-18-22)10-21-7-5-15(6-8-21)23-12-16-19-17(20-24-16)14-3-4-14/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyJNEWRHICRCLUOZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.34
Rot. Bonds7

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

3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 91927459) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID91927459
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCCn1cc(CN2CCC(OCc3nc(C4CC4)no3)CC2)cn1
InChIInChI=1S/C17H25N5O2/c1-2-22-11-13(9-18-22)10-21-7-5-15(6-8-21)23-12-16-19-17(20-24-16)14-3-4-14/h9,11,14-15H,2-8,10,12H2,1H3
InChIKeyJNEWRHICRCLUOZ-UHFFFAOYSA-N
XLogP2.34
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (CID 91927459) is 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole is CCn1cc(CN2CCC(OCc3nc(C4CC4)no3)CC2)cn1.
What is the InChIKey of 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is JNEWRHICRCLUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-22-11-13(9-18-22)10-21-7-5-15(6-8-21)23-12-16-19-17(20-24-16)14-3-4-14/h9,11,14-15H,2-8,10,12H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91927459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).