3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride

C7H12ClN3O2 — CID 86775615

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
SMILESCc1noc(C2(O)CCNC2)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-5-9-6(12-10-5)7(11)2-3-8-4-7;/h8,11H,2-4H2,1H3;1H
InChIKeyGPJDBXCIHLDISI-UHFFFAOYSA-N
MW205.64 g/mol
LogP-0.02
Rot. Bonds1

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride

3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride (PubChem CID 86775615) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
PubChem CID86775615
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
SMILESCc1noc(C2(O)CCNC2)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-5-9-6(12-10-5)7(11)2-3-8-4-7;/h8,11H,2-4H2,1H3;1H
InChIKeyGPJDBXCIHLDISI-UHFFFAOYSA-N
XLogP-0.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride (CID 86775615) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride is Cc1noc(C2(O)CCNC2)n1.Cl.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is GPJDBXCIHLDISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-5-9-6(12-10-5)7(11)2-3-8-4-7;/h8,11H,2-4H2,1H3;1H.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride?
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 86775615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).