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

C18H27N5O3 — CID 70768453

IUPAC3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCOCCn1ccnc1C1CCN(Cc2noc(C3CCCO3)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-24-12-10-23-9-6-19-17(23)14-4-7-22(8-5-14)13-16-20-18(26-21-16)15-3-2-11-25-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyZVMWGGWHCYWTPR-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.14
Rot. Bonds7

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

3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 70768453) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID70768453
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCOCCn1ccnc1C1CCN(Cc2noc(C3CCCO3)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-24-12-10-23-9-6-19-17(23)14-4-7-22(8-5-14)13-16-20-18(26-21-16)15-3-2-11-25-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyZVMWGGWHCYWTPR-UHFFFAOYSA-N
XLogP2.14
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (CID 70768453) is 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is COCCn1ccnc1C1CCN(Cc2noc(C3CCCO3)n2)CC1.
What is the InChIKey of 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZVMWGGWHCYWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-24-12-10-23-9-6-19-17(23)14-4-7-22(8-5-14)13-16-20-18(26-21-16)15-3-2-11-25-15/h6,9,14-15H,2-5,7-8,10-13H2,1H3.
What are the key properties of 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 361.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70768453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).