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

C21H21N3O2 — CID 122164729

IUPAC1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)NC(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-19-18(11-17)22-14(2)21(25)24(19)12-16-7-5-4-6-8-16/h4-11,14,22H,12H2,1-3H3
InChIKeyAEHDJCQMPGFBFP-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.31
Rot. Bonds3

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

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 122164729) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID122164729
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)NC(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-19-18(11-17)22-14(2)21(25)24(19)12-16-7-5-4-6-8-16/h4-11,14,22H,12H2,1-3H3
InChIKeyAEHDJCQMPGFBFP-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 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one (CID 122164729) is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one is Cc1noc(C)c1-c1ccc2c(c1)NC(C)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is AEHDJCQMPGFBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-20(15(3)26-23-13)17-9-10-19-18(11-17)22-14(2)21(25)24(19)12-16-7-5-4-6-8-16/h4-11,14,22H,12H2,1-3H3.
What are the key properties of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one?
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-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 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 122164729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).