3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C12H19N3O2 — CID 86820521

IUPAC3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CNC(c2nc(CCOCC3CC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(13-6-1)12-14-11(15-17-12)5-7-16-8-9-3-4-9/h9-10,13H,1-8H2
InChIKeyQKOJBRQOLXOOHX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds6

About 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 86820521) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID86820521
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CNC(c2nc(CCOCC3CC3)no2)C1
InChIInChI=1S/C12H19N3O2/c1-2-10(13-6-1)12-14-11(15-17-12)5-7-16-8-9-3-4-9/h9-10,13H,1-8H2
InChIKeyQKOJBRQOLXOOHX-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 86820521) is 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is C1CNC(c2nc(CCOCC3CC3)no2)C1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is QKOJBRQOLXOOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10(13-6-1)12-14-11(15-17-12)5-7-16-8-9-3-4-9/h9-10,13H,1-8H2.
What are the key properties of 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 237.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).