4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one

C21H21N3O2 — CID 121375785

IUPAC4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(Cc1ccccc1)C(C)C(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-18-19(11-17)24(14(2)21(25)22-18)12-16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,22,25)
InChIKeyZJCUNVCLRUWVOZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.31
Rot. Bonds3

About 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one

4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 121375785) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID121375785
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)N(Cc1ccccc1)C(C)C(=O)N2
InChIInChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-18-19(11-17)24(14(2)21(25)22-18)12-16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,22,25)
InChIKeyZJCUNVCLRUWVOZ-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one (CID 121375785) is 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one is Cc1noc(C)c1-c1ccc2c(c1)N(Cc1ccccc1)C(C)C(=O)N2.
What is the InChIKey of 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZJCUNVCLRUWVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-18-19(11-17)24(14(2)21(25)22-18)12-16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,22,25).
What are the key properties of 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one?
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 347.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 121375785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).