5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine

C16H16N4O2 — CID 167966565

IUPAC5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NC3CCOC3)o2)c2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-10-8-13(12-4-2-3-5-14(12)17-10)15-19-20-16(22-15)18-11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,20)
InChIKeyHUXGRRXTGPUSPQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds3

About 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine

5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 167966565) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID167966565
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(-c2nnc(NC3CCOC3)o2)c2ccccc2n1
InChIInChI=1S/C16H16N4O2/c1-10-8-13(12-4-2-3-5-14(12)17-10)15-19-20-16(22-15)18-11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,20)
InChIKeyHUXGRRXTGPUSPQ-UHFFFAOYSA-N
XLogP2.79
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 167966565) is 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine is Cc1cc(-c2nnc(NC3CCOC3)o2)c2ccccc2n1.
What is the InChIKey of 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HUXGRRXTGPUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-13(12-4-2-3-5-14(12)17-10)15-19-20-16(22-15)18-11-6-7-21-9-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,20).
What are the key properties of 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 296.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-4-yl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167966565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).