3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

C15H27N3O2 — CID 106978019

IUPAC3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(OCC)C(C)C)no2)CCCN1
InChIInChI=1S/C15H27N3O2/c1-5-8-15(9-7-10-16-15)14-17-13(18-20-14)12(11(3)4)19-6-2/h11-12,16H,5-10H2,1-4H3
InChIKeyRFIXMXHNXVOINS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.18
Rot. Bonds7

About 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106978019) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106978019
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(OCC)C(C)C)no2)CCCN1
InChIInChI=1S/C15H27N3O2/c1-5-8-15(9-7-10-16-15)14-17-13(18-20-14)12(11(3)4)19-6-2/h11-12,16H,5-10H2,1-4H3
InChIKeyRFIXMXHNXVOINS-UHFFFAOYSA-N
XLogP3.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978023
3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045
3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071344
3-(1-methoxycyclohexyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978030
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977975
3-(4-methylphenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977854
3-(5-methylpyrimidin-2-yl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977992
3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977880
3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977926
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106978019) is 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C(OCC)C(C)C)no2)CCCN1.
What is the InChIKey of 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is RFIXMXHNXVOINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-15(9-7-10-16-15)14-17-13(18-20-14)12(11(3)4)19-6-2/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 281.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106978019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).