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

C8H13N3O — CID 95369092

IUPAC3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@]2(C)CCCN2)n1
InChIInChI=1S/C8H13N3O/c1-6-10-7(12-11-6)8(2)4-3-5-9-8/h9H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyFLQDPJXNOIAVFY-QMMMGPOBSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds1

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

3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95369092) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID95369092
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@]2(C)CCCN2)n1
InChIInChI=1S/C8H13N3O/c1-6-10-7(12-11-6)8(2)4-3-5-9-8/h9H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyFLQDPJXNOIAVFY-QMMMGPOBSA-N
XLogP0.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 95369092) is 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is Cc1noc([C@]2(C)CCCN2)n1.
What is the InChIKey of 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is FLQDPJXNOIAVFY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-7(12-11-6)8(2)4-3-5-9-8/h9H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95369092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).