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

C11H19N3O3 — CID 111434623

IUPAC(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
SMILESCCOC(C)c1noc(CN2CC[C@H](O)C2)n1
InChIInChI=1S/C11H19N3O3/c1-3-16-8(2)11-12-10(17-13-11)7-14-5-4-9(15)6-14/h8-9,15H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeySRBCKFGLXNFWFH-GKAPJAKFSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds5

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

(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol (PubChem CID 111434623) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
PubChem CID111434623
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
SMILESCCOC(C)c1noc(CN2CC[C@H](O)C2)n1
InChIInChI=1S/C11H19N3O3/c1-3-16-8(2)11-12-10(17-13-11)7-14-5-4-9(15)6-14/h8-9,15H,3-7H2,1-2H3/t8?,9-/m0/s1
InChIKeySRBCKFGLXNFWFH-GKAPJAKFSA-N
XLogP0.73
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 111434599
5-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 71988766
3-[(1R)-1-ethoxyethyl]-5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95773429
2-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489365
3-[(1R)-1-ethoxyethyl]-5-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 100871818
[1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111434585
(2R)-2-amino-1-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119896128
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 125147274
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 136528767

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol (CID 111434623) is (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol is CCOC(C)c1noc(CN2CC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol?
The InChIKey is SRBCKFGLXNFWFH-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-16-8(2)11-12-10(17-13-11)7-14-5-4-9(15)6-14/h8-9,15H,3-7H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol has a molecular weight of 241.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111434623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).