3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C12H19N3O2 — CID 116701466

IUPAC3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3CCNC3C)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-8-9(4-7-13-8)10-14-11(15-17-10)12(16-2)5-3-6-12/h8-9,13H,3-7H2,1-2H3
InChIKeyKNGXWZPVEKVPBR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds3

About 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116701466) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116701466
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOC1(c2noc(C3CCNC3C)n2)CCC1
InChIInChI=1S/C12H19N3O2/c1-8-9(4-7-13-8)10-14-11(15-17-10)12(16-2)5-3-6-12/h8-9,13H,3-7H2,1-2H3
InChIKeyKNGXWZPVEKVPBR-UHFFFAOYSA-N
XLogP1.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methoxy-4,4-dimethylcyclohexyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116743065
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
5-(azepan-2-yl)-3-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 104609716
3-(1-methoxy-4,4-dimethylcyclohexyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781201
3-(1-methoxy-4-methylcyclohexyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742483
N-ethyl-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116733049
cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173552
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104609675
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116701466) is 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is COC1(c2noc(C3CCNC3C)n2)CCC1.
What is the InChIKey of 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is KNGXWZPVEKVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(4-7-13-8)10-14-11(15-17-10)12(16-2)5-3-6-12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116701466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).