3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole

C8H13N3O — CID 92845934

IUPAC3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(C)C2)n1
InChIInChI=1S/C8H13N3O/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyGFEPBOWKWNAPQC-SSDOTTSWSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds1

About 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 92845934) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID92845934
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCN(C)C2)n1
InChIInChI=1S/C8H13N3O/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyGFEPBOWKWNAPQC-SSDOTTSWSA-N
XLogP0.80
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 59556428
2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077063
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979897
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491666
CID 157221926
CID 157221926
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97253149
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
5-[1-(2-ethenoxyethyl)piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 167969051

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 92845934) is 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GFEPBOWKWNAPQC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 92845934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).