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

C7H11N3O — CID 95165260

IUPAC2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H]2CCNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-7(11-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyUQCKXOHSZISEPZ-ZCFIWIBFSA-N
MW153.19 g/mol
LogP0.45
Rot. Bonds1

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

2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 95165260) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID95165260
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H]2CCNC2)o1
InChIInChI=1S/C7H11N3O/c1-5-9-10-7(11-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeyUQCKXOHSZISEPZ-ZCFIWIBFSA-N
XLogP0.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 95165260) is 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole is Cc1nnc([C@@H]2CCNC2)o1.
What is the InChIKey of 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is UQCKXOHSZISEPZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-10-7(11-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95165260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).