3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole

C15H13N3O2 — CID 97446166

IUPAC3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc([C@H]3CCOC3)no2)c2cccnc2c1
InChIInChI=1S/C15H13N3O2/c1-3-12(11-4-2-7-16-13(11)5-1)15-17-14(18-20-15)10-6-8-19-9-10/h1-5,7,10H,6,8-9H2/t10-/m0/s1
InChIKeyVULDEWQAIMIWBS-JTQLQIEISA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds2

About 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole (PubChem CID 97446166) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
PubChem CID97446166
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc([C@H]3CCOC3)no2)c2cccnc2c1
InChIInChI=1S/C15H13N3O2/c1-3-12(11-4-2-7-16-13(11)5-1)15-17-14(18-20-15)10-6-8-19-9-10/h1-5,7,10H,6,8-9H2/t10-/m0/s1
InChIKeyVULDEWQAIMIWBS-JTQLQIEISA-N
XLogP2.79
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815
5-(2-methoxyquinolin-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434816
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
3-(oxan-4-yl)-5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 91651703
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
3-(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971456
3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 72902790
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 97434052
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole (CID 97446166) is 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole is c1cc(-c2nc([C@H]3CCOC3)no2)c2cccnc2c1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole?
The InChIKey is VULDEWQAIMIWBS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13N3O2/c1-3-12(11-4-2-7-16-13(11)5-1)15-17-14(18-20-15)10-6-8-19-9-10/h1-5,7,10H,6,8-9H2/t10-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97446166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).