3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C11H19N3O — CID 79371942

IUPAC3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCNC2C)n1
InChIInChI=1S/C11H19N3O/c1-4-7(2)10-13-11(15-14-10)9-5-6-12-8(9)3/h7-9,12H,4-6H2,1-3H3
InChIKeyKMBHDOSTHQFRRD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds3

About 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 79371942) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID79371942
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2CCNC2C)n1
InChIInChI=1S/C11H19N3O/c1-4-7(2)10-13-11(15-14-10)9-5-6-12-8(9)3/h7-9,12H,4-6H2,1-3H3
InChIKeyKMBHDOSTHQFRRD-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106814813
N,N-diethyl-2-[5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79369553
3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114085116
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470
3-(1-methoxy-4,4-dimethylcyclohexyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116743065
3-[(4-fluorophenyl)sulfanylmethyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372368
5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 79369012
3-(2,3-dihydro-1H-inden-2-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371057
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116701466
5-(2-methylpyrrolidin-3-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 79371542

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 79371942) is 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCC(C)c1noc(C2CCNC2C)n1.
What is the InChIKey of 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is KMBHDOSTHQFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7(2)10-13-11(15-14-10)9-5-6-12-8(9)3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79371942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).