2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole

C20H13N5O2 — CID 154841410

IUPAC2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)nc2ccccc12
InChIInChI=1S/C20H13N5O2/c1-12-11-16(21-15-10-6-5-9-14(12)15)19-22-17(25-27-19)20-24-23-18(26-20)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyJHJSHSFLPXDCFR-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.31
Rot. Bonds3

About 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole

2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 154841410) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID154841410
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)nc2ccccc12
InChIInChI=1S/C20H13N5O2/c1-12-11-16(21-15-10-6-5-9-14(12)15)19-22-17(25-27-19)20-24-23-18(26-20)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyJHJSHSFLPXDCFR-UHFFFAOYSA-N
XLogP4.31
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 154841410) is 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)nc2ccccc12.
What is the InChIKey of 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JHJSHSFLPXDCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-12-11-16(21-15-10-6-5-9-14(12)15)19-22-17(25-27-19)20-24-23-18(26-20)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 355.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 154841410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).