4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one

C21H21N3O4S — CID 20939783

IUPAC4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CC(=O)Nc4ccccc43)c2)on1
InChIInChI=1S/C21H21N3O4S/c1-13(2)16-9-8-15(19-10-14(3)23-28-19)11-20(16)29(26,27)24-12-21(25)22-17-6-4-5-7-18(17)24/h4-11,13H,12H2,1-3H3,(H,22,25)
InChIKeyHIKDDDQHHKDPGZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.92
Rot. Bonds4

About 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one

4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 20939783) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID20939783
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CC(=O)Nc4ccccc43)c2)on1
InChIInChI=1S/C21H21N3O4S/c1-13(2)16-9-8-15(19-10-14(3)23-28-19)11-20(16)29(26,27)24-12-21(25)22-17-6-4-5-7-18(17)24/h4-11,13H,12H2,1-3H3,(H,22,25)
InChIKeyHIKDDDQHHKDPGZ-UHFFFAOYSA-N
XLogP3.92
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60723912
N-(4-cyanophenyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 46335665
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
CID 20934947
N-(5-chloro-2-pyridinyl)-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936462
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
N-[4-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonylamino]phenyl]acetamide
CID 46335667

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one (CID 20939783) is 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one is Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CC(=O)Nc4ccccc43)c2)on1.
What is the InChIKey of 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is HIKDDDQHHKDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-13(2)16-9-8-15(19-10-14(3)23-28-19)11-20(16)29(26,27)24-12-21(25)22-17-6-4-5-7-18(17)24/h4-11,13H,12H2,1-3H3,(H,22,25).
What are the key properties of 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one?
4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 411.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 20939783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).