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

C12H20N4O3 — CID 106812856

IUPAC(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN1CCOC(c2noc([C@H]3C[C@H](O)CN3)n2)C1
InChIInChI=1S/C12H20N4O3/c1-2-16-3-4-18-10(7-16)11-14-12(19-15-11)9-5-8(17)6-13-9/h8-10,13,17H,2-7H2,1H3/t8-,9+,10?/m0/s1
InChIKeyMEXCFHKGGOUDCR-QIIDTADFSA-N
MW268.32 g/mol
LogP-0.14
Rot. Bonds3

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

(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106812856) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106812856
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN1CCOC(c2noc([C@H]3C[C@H](O)CN3)n2)C1
InChIInChI=1S/C12H20N4O3/c1-2-16-3-4-18-10(7-16)11-14-12(19-15-11)9-5-8(17)6-13-9/h8-10,13,17H,2-7H2,1H3/t8-,9+,10?/m0/s1
InChIKeyMEXCFHKGGOUDCR-QIIDTADFSA-N
XLogP-0.14
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436463
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79666239
2-[5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]-4-ethylmorpholine
CID 102894735
(3S,5S)-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912421
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5R)-5-[3-(1,4-dimethyl-1,4-diazepan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912490
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
(3S,5S)-5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912517
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
(3R,5R)-5-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103594990
(3S,5S)-5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106812856) is (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCN1CCOC(c2noc([C@H]3C[C@H](O)CN3)n2)C1.
What is the InChIKey of (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MEXCFHKGGOUDCR-QIIDTADFSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-16-3-4-18-10(7-16)11-14-12(19-15-11)9-5-8(17)6-13-9/h8-10,13,17H,2-7H2,1H3/t8-,9+,10?/m0/s1.
What are the key properties of (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 268.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106812856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).