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

C6H9N3O — CID 96848352

IUPAC3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1nc([C@@H]2CCNC2)no1
InChIInChI=1S/C6H9N3O/c1-2-7-3-5(1)6-8-4-10-9-6/h4-5,7H,1-3H2/t5-/m1/s1
InChIKeyDTAFNVJRXJKUTM-RXMQYKEDSA-N
MW139.16 g/mol
LogP0.15
Rot. Bonds1

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

3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 96848352) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID96848352
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1nc([C@@H]2CCNC2)no1
InChIInChI=1S/C6H9N3O/c1-2-7-3-5(1)6-8-4-10-9-6/h4-5,7H,1-3H2/t5-/m1/s1
InChIKeyDTAFNVJRXJKUTM-RXMQYKEDSA-N
XLogP0.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 75531100
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 54573513
5-chloro-2,2-dimethyl-3-(1,2,4-oxadiazol-3-yl)-7-piperidin-4-yl-3H-1-benzofuran-4-amine
CID 67675758
5-pyridin-2-yl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727844
5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845
3-(2-azaspiro[4.5]decan-4-yl)-1,2,4-oxadiazole
CID 91812060
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 82652996
2-pyrrolidin-3-yl-1,3,4-oxadiazole;dihydrochloride
CID 162343207

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 96848352) is 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is c1nc([C@@H]2CCNC2)no1.
What is the InChIKey of 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is DTAFNVJRXJKUTM-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-7-3-5(1)6-8-4-10-9-6/h4-5,7H,1-3H2/t5-/m1/s1.
What are the key properties of 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96848352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).