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

C22H23N3O3 — CID 122164730

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3NC(=O)C2C)cc1
InChIInChI=1S/C22H23N3O3/c1-13-21(15(3)28-24-13)17-7-10-19-20(11-17)25(14(2)22(26)23-19)12-16-5-8-18(27-4)9-6-16/h5-11,14H,12H2,1-4H3,(H,23,26)
InChIKeyVEQKSHRJTAAEDT-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.31
Rot. Bonds4

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 122164730) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID122164730
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3NC(=O)C2C)cc1
InChIInChI=1S/C22H23N3O3/c1-13-21(15(3)28-24-13)17-7-10-19-20(11-17)25(14(2)22(26)23-19)12-16-5-8-18(27-4)9-6-16/h5-11,14H,12H2,1-4H3,(H,23,26)
InChIKeyVEQKSHRJTAAEDT-UHFFFAOYSA-N
XLogP4.31
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one (CID 122164730) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one is COc1ccc(CN2c3cc(-c4c(C)noc4C)ccc3NC(=O)C2C)cc1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is VEQKSHRJTAAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-21(15(3)28-24-13)17-7-10-19-20(11-17)25(14(2)22(26)23-19)12-16-5-8-18(27-4)9-6-16/h5-11,14H,12H2,1-4H3,(H,23,26).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 122164730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).