5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole

C7H11N3O2 — CID 82652996

IUPAC5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(C2CCNC2)no1
InChIInChI=1S/C7H11N3O2/c1-11-7-9-6(10-12-7)5-2-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyAMUONJPUFMRHAX-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.16
Rot. Bonds2

About 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole

5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 82652996) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID82652996
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(C2CCNC2)no1
InChIInChI=1S/C7H11N3O2/c1-11-7-9-6(10-12-7)5-2-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyAMUONJPUFMRHAX-UHFFFAOYSA-N
XLogP0.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115079579
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 82652996) is 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole is COc1nc(C2CCNC2)no1.
What is the InChIKey of 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is AMUONJPUFMRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-11-7-9-6(10-12-7)5-2-3-8-4-5/h5,8H,2-4H2,1H3.
What are the key properties of 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 169.18 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).