3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

C17H25N5O2 — CID 91835240

IUPAC3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCc1nccn1CC1CCN(Cc2noc(C3CCCO3)n2)CC1
InChIInChI=1S/C17H25N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(24-20-16)15-3-2-10-23-15/h6,9,14-15H,2-5,7-8,10-12H2,1H3
InChIKeySTRKVRBCVYXZAL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.34
Rot. Bonds5

About 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 91835240) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID91835240
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCc1nccn1CC1CCN(Cc2noc(C3CCCO3)n2)CC1
InChIInChI=1S/C17H25N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(24-20-16)15-3-2-10-23-15/h6,9,14-15H,2-5,7-8,10-12H2,1H3
InChIKeySTRKVRBCVYXZAL-UHFFFAOYSA-N
XLogP2.34
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
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-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (CID 91835240) is 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is Cc1nccn1CC1CCN(Cc2noc(C3CCCO3)n2)CC1.
What is the InChIKey of 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is STRKVRBCVYXZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(24-20-16)15-3-2-10-23-15/h6,9,14-15H,2-5,7-8,10-12H2,1H3.
What are the key properties of 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91835240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).