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

C10H17N3O3 — CID 106812910

IUPAC(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCC(OC)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C10H17N3O3/c1-3-8(15-2)9-12-10(16-13-9)7-4-6(14)5-11-7/h6-8,11,14H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyYTMHKQAIWDVMAA-KJFJCRTCSA-N
MW227.26 g/mol
LogP0.56
Rot. Bonds4

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

(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106812910) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106812910
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCC(OC)c1noc([C@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C10H17N3O3/c1-3-8(15-2)9-12-10(16-13-9)7-4-6(14)5-11-7/h6-8,11,14H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyYTMHKQAIWDVMAA-KJFJCRTCSA-N
XLogP0.56
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812934
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912535
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743655
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106812910) is (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCC(OC)c1noc([C@H]2C[C@H](O)CN2)n1.
What is the InChIKey of (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is YTMHKQAIWDVMAA-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-8(15-2)9-12-10(16-13-9)7-4-6(14)5-11-7/h6-8,11,14H,3-5H2,1-2H3/t6-,7+,8?/m0/s1.
What are the key properties of (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 227.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106812910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).