2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole

C16H19N3O — CID 122149576

IUPAC2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2c3ccccc3C=CC2(C)C)o1
InChIInChI=1S/C16H19N3O/c1-4-14-17-18-15(20-14)11-19-13-8-6-5-7-12(13)9-10-16(19,2)3/h5-10H,4,11H2,1-3H3
InChIKeyFHERQEWUXJMBIE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.44
Rot. Bonds3

About 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole

2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 122149576) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID122149576
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2c3ccccc3C=CC2(C)C)o1
InChIInChI=1S/C16H19N3O/c1-4-14-17-18-15(20-14)11-19-13-8-6-5-7-12(13)9-10-16(19,2)3/h5-10H,4,11H2,1-3H3
InChIKeyFHERQEWUXJMBIE-UHFFFAOYSA-N
XLogP3.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 122149576) is 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2c3ccccc3C=CC2(C)C)o1.
What is the InChIKey of 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is FHERQEWUXJMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-14-17-18-15(20-14)11-19-13-8-6-5-7-12(13)9-10-16(19,2)3/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 122149576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).