3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

C10H17N3O — CID 130763039

IUPAC3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCNC2C(C)C)n1
InChIInChI=1S/C10H17N3O/c1-6(2)9-8(4-5-11-9)10-12-7(3)13-14-10/h6,8-9,11H,4-5H2,1-3H3
InChIKeyQBOQCFJJKYVNSQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds2

About 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 130763039) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID130763039
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CCNC2C(C)C)n1
InChIInChI=1S/C10H17N3O/c1-6(2)9-8(4-5-11-9)10-12-7(3)13-14-10/h6,8-9,11H,4-5H2,1-3H3
InChIKeyQBOQCFJJKYVNSQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-propan-2-ylcyclobutyl)-1,2,4-oxadiazole
CID 176864448
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371942
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 166606249
5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
CID 126992893
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
3-methyl-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole
CID 112707841
CID 162193867
CID 162193867
6-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150093
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 130763039) is 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is Cc1noc(C2CCNC2C(C)C)n1.
What is the InChIKey of 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QBOQCFJJKYVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)9-8(4-5-11-9)10-12-7(3)13-14-10/h6,8-9,11H,4-5H2,1-3H3.
What are the key properties of 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130763039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).