N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide

C25H18N4O2 — CID 664007

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1
InChIInChI=1S/C25H18N4O2/c1-16-14-22(29-31-16)28-25(30)19-12-13-20-21(15-19)27-24(18-10-6-3-7-11-18)23(26-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,28,29,30)
InChIKeyQZUQFXBKJLNLDA-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.51
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 664007) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID664007
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1
InChIInChI=1S/C25H18N4O2/c1-16-14-22(29-31-16)28-25(30)19-12-13-20-21(15-19)27-24(18-10-6-3-7-11-18)23(26-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,28,29,30)
InChIKeyQZUQFXBKJLNLDA-UHFFFAOYSA-N
XLogP5.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide (CID 664007) is N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide is Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is QZUQFXBKJLNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c1-16-14-22(29-31-16)28-25(30)19-12-13-20-21(15-19)27-24(18-10-6-3-7-11-18)23(26-20)17-8-4-2-5-9-17/h2-15H,1H3,(H,28,29,30).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 664007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).