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

C11H17N3O3 — CID 104912536

IUPAC(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCOC1(c2noc([C@@H]3C[C@H](O)CN3)n2)CCC1
InChIInChI=1S/C11H17N3O3/c1-16-11(3-2-4-11)10-13-9(17-14-10)8-5-7(15)6-12-8/h7-8,12,15H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyZUSALTILAYYKFQ-YUMQZZPRSA-N
MW239.27 g/mol
LogP0.49
Rot. Bonds3

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

(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912536) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912536
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCOC1(c2noc([C@@H]3C[C@H](O)CN3)n2)CCC1
InChIInChI=1S/C11H17N3O3/c1-16-11(3-2-4-11)10-13-9(17-14-10)8-5-7(15)6-12-8/h7-8,12,15H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyZUSALTILAYYKFQ-YUMQZZPRSA-N
XLogP0.49
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
(3R,5R)-5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912574
3-(1-methoxycyclohexyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103467146
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350993
(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911223
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
3-(1-ethoxycyclohexyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116741896
(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912280
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116701466
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552140
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912536) is (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is COC1(c2noc([C@@H]3C[C@H](O)CN3)n2)CCC1.
What is the InChIKey of (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is ZUSALTILAYYKFQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-11(3-2-4-11)10-13-9(17-14-10)8-5-7(15)6-12-8/h7-8,12,15H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 239.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).