3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C14H21N5O3 — CID 129461066

IUPAC3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(CN2CCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C14H21N5O3/c1-4-20-9(2)13-16-12(22-17-13)8-19-7-5-6-11(19)14-15-10(3)21-18-14/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyNPVDBMVYLJOKEO-KOLCDFICSA-N
MW307.35 g/mol
LogP2.20
Rot. Bonds6

About 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 129461066) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID129461066
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCO[C@H](C)c1noc(CN2CCC[C@H]2c2noc(C)n2)n1
InChIInChI=1S/C14H21N5O3/c1-4-20-9(2)13-16-12(22-17-13)8-19-7-5-6-11(19)14-15-10(3)21-18-14/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyNPVDBMVYLJOKEO-KOLCDFICSA-N
XLogP2.20
TPSA90.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1S)-1-ethoxyethyl]-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129330703
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111434585
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252
3-(1-ethoxyethyl)-5-[[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 166210681
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 111434623
3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 100871818
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 120771222
3-[(1R)-1-ethoxyethyl]-5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773429
3-[(1S)-1-methoxyethyl]-5-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129473948
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71988766
2-propan-2-yl-5-[[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95769217

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 129461066) is 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is CCO[C@H](C)c1noc(CN2CCC[C@H]2c2noc(C)n2)n1.
What is the InChIKey of 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is NPVDBMVYLJOKEO-KOLCDFICSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-4-20-9(2)13-16-12(22-17-13)8-19-7-5-6-11(19)14-15-10(3)21-18-14/h9,11H,4-8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 307.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethoxyethyl]-5-[[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 129461066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).