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

C17H27N5O2 — CID 91830883

IUPAC3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13(2)22-10-7-18-17(22)14-4-8-21(9-5-14)12-16-19-15(20-24-16)6-11-23-3/h7,10,13-14H,4-6,8-9,11-12H2,1-3H3
InChIKeyGOMIMGVDNKQGEP-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.42
Rot. Bonds7

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

3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91830883) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91830883
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCC(c3nccn3C(C)C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-13(2)22-10-7-18-17(22)14-4-8-21(9-5-14)12-16-19-15(20-24-16)6-11-23-3/h7,10,13-14H,4-6,8-9,11-12H2,1-3H3
InChIKeyGOMIMGVDNKQGEP-UHFFFAOYSA-N
XLogP2.42
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-[(3-pyridin-4-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56880364
(3S,4R)-4-(hydroxymethyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56884679
[1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanol
CID 111442495
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56753267
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95283706
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72850131
5-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 154774973
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
3-(2-methoxyethyl)-5-[[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124758455

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 91830883) is 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCC(c3nccn3C(C)C)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is GOMIMGVDNKQGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)22-10-7-18-17(22)14-4-8-21(9-5-14)12-16-19-15(20-24-16)6-11-23-3/h7,10,13-14H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91830883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).