(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C20H16N4O3 — CID 2995393

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2nc1C
InChIInChI=1S/C20H16N4O3/c1-12-13(2)22-17-10-15(8-9-16(17)21-12)20(25)26-11-18-23-24-19(27-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLVXCHNHAZJWNSU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.65
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2995393) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2995393
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2nc1C
InChIInChI=1S/C20H16N4O3/c1-12-13(2)22-17-10-15(8-9-16(17)21-12)20(25)26-11-18-23-24-19(27-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyLVXCHNHAZJWNSU-UHFFFAOYSA-N
XLogP3.65
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2995393) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2nc1C.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is LVXCHNHAZJWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-13(2)22-17-10-15(8-9-16(17)21-12)20(25)26-11-18-23-24-19(27-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2995393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).