5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C16H15N3O3 — CID 97434815

IUPAC5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc([C@@H]3CCOC3)no2)c2ccccc2n1
InChIInChI=1S/C16H15N3O3/c1-20-14-8-12(11-4-2-3-5-13(11)17-14)16-18-15(19-22-16)10-6-7-21-9-10/h2-5,8,10H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyHNDFNRMJBOUZTI-SNVBAGLBSA-N
MW297.31 g/mol
LogP2.80
Rot. Bonds3

About 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97434815) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97434815
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc([C@@H]3CCOC3)no2)c2ccccc2n1
InChIInChI=1S/C16H15N3O3/c1-20-14-8-12(11-4-2-3-5-13(11)17-14)16-18-15(19-22-16)10-6-7-21-9-10/h2-5,8,10H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyHNDFNRMJBOUZTI-SNVBAGLBSA-N
XLogP2.80
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97434815) is 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is COc1cc(-c2nc([C@@H]3CCOC3)no2)c2ccccc2n1.
What is the InChIKey of 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is HNDFNRMJBOUZTI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-14-8-12(11-4-2-3-5-13(11)17-14)16-18-15(19-22-16)10-6-7-21-9-10/h2-5,8,10H,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97434815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).