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

C13H21N3O — CID 106977975

IUPAC3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CC3CC3)no2)CCCN1
InChIInChI=1S/C13H21N3O/c1-2-6-13(7-3-8-14-13)12-15-11(16-17-12)9-10-4-5-10/h10,14H,2-9H2,1H3
InChIKeyDKBDOPDQSUZMSO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds5

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

3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977975) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977975
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CC3CC3)no2)CCCN1
InChIInChI=1S/C13H21N3O/c1-2-6-13(7-3-8-14-13)12-15-11(16-17-12)9-10-4-5-10/h10,14H,2-9H2,1H3
InChIKeyDKBDOPDQSUZMSO-UHFFFAOYSA-N
XLogP2.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
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-(1-methoxycyclohexyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978030
3-(4-bromophenyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977880
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737
3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978019
3-(6-methyl-2-pyridinyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977926
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978023
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977934
5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 83070518
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977975) is 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(CC3CC3)no2)CCCN1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is DKBDOPDQSUZMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-13(7-3-8-14-13)12-15-11(16-17-12)9-10-4-5-10/h10,14H,2-9H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).