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

C17H16N4O — CID 67343124

IUPAC3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3cccc([C@H]4CCCN4)c3)n2)c1
InChIInChI=1S/C17H16N4O/c1-4-12(15-7-3-9-19-15)10-13(5-1)17-20-16(21-22-17)14-6-2-8-18-11-14/h1-2,4-6,8,10-11,15,19H,3,7,9H2/t15-/m1/s1
InChIKeyLCWRDTCALDWQLY-OAHLLOKOSA-N
MW292.34 g/mol
LogP3.22
Rot. Bonds3

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

3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 67343124) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole
PubChem CID67343124
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3cccc([C@H]4CCCN4)c3)n2)c1
InChIInChI=1S/C17H16N4O/c1-4-12(15-7-3-9-19-15)10-13(5-1)17-20-16(21-22-17)14-6-2-8-18-11-14/h1-2,4-6,8,10-11,15,19H,3,7,9H2/t15-/m1/s1
InChIKeyLCWRDTCALDWQLY-OAHLLOKOSA-N
XLogP3.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 174600282
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
CID 67345132
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
5-[5-(3-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 75975201
3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine
CID 70888170
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
CID 95846608
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole (CID 67343124) is 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole is c1cncc(-c2noc(-c3cccc([C@H]4CCCN4)c3)n2)c1.
What is the InChIKey of 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is LCWRDTCALDWQLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O/c1-4-12(15-7-3-9-19-15)10-13(5-1)17-20-16(21-22-17)14-6-2-8-18-11-14/h1-2,4-6,8,10-11,15,19H,3,7,9H2/t15-/m1/s1.
What are the key properties of 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole?
3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 67343124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).