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

C16H15N3O — CID 104900526

IUPAC3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc([C@H]4CCCN4)n3)ccc2c1
InChIInChI=1S/C16H15N3O/c1-2-5-12-10-13(8-7-11(12)4-1)15-18-16(20-19-15)14-6-3-9-17-14/h1-2,4-5,7-8,10,14,17H,3,6,9H2/t14-/m1/s1
InChIKeyNGSQNCDLZORERV-CQSZACIVSA-N
MW265.32 g/mol
LogP3.31
Rot. Bonds2

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

3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900526) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900526
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESc1ccc2cc(-c3noc([C@H]4CCCN4)n3)ccc2c1
InChIInChI=1S/C16H15N3O/c1-2-5-12-10-13(8-7-11(12)4-1)15-18-16(20-19-15)14-6-3-9-17-14/h1-2,4-5,7-8,10,14,17H,3,6,9H2/t14-/m1/s1
InChIKeyNGSQNCDLZORERV-CQSZACIVSA-N
XLogP3.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
CID 137054165
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(1-benzofuran-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95012274
2-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136810089
5-pyrrolidin-2-yl-3-quinolin-2-yl-1,2,4-oxadiazole
CID 63219142
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(1-benzofuran-2-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832711
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
5-[(2R)-piperidin-2-yl]-3-quinoxalin-6-yl-1,2,4-oxadiazole
CID 104914946
4-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenol
CID 136967991
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900526) is 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is c1ccc2cc(-c3noc([C@H]4CCCN4)n3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is NGSQNCDLZORERV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-5-12-10-13(8-7-11(12)4-1)15-18-16(20-19-15)14-6-3-9-17-14/h1-2,4-5,7-8,10,14,17H,3,6,9H2/t14-/m1/s1.
What are the key properties of 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 265.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).