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

C12H13N3O — CID 99727838

IUPAC5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@@H]3CCNC3)no2)cc1
InChIInChI=1S/C12H13N3O/c1-2-4-9(5-3-1)12-14-11(15-16-12)10-6-7-13-8-10/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyGTJHFUBSIRLRBS-SNVBAGLBSA-N
MW215.26 g/mol
LogP1.81
Rot. Bonds2

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

5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 99727838) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID99727838
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@@H]3CCNC3)no2)cc1
InChIInChI=1S/C12H13N3O/c1-2-4-9(5-3-1)12-14-11(15-16-12)10-6-7-13-8-10/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyGTJHFUBSIRLRBS-SNVBAGLBSA-N
XLogP1.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471
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
5-pyridin-2-yl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727844
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 99727838) is 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is c1ccc(-c2nc([C@@H]3CCNC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GTJHFUBSIRLRBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-9(5-3-1)12-14-11(15-16-12)10-6-7-13-8-10/h1-5,10,13H,6-8H2/t10-/m1/s1.
What are the key properties of 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 215.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99727838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).