7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one

C25H23N3O7S — CID 118863709

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)nc(CO)c1oc(=O)n(Cc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C25H23N3O7S/c1-13-22(14(2)35-27-13)18-9-19-17(10-21(18)33-3)23-24(20(12-29)26-19)34-25(30)28(23)11-15-5-7-16(8-6-15)36(4,31)32/h5-10,29H,11-12H2,1-4H3
InChIKeyWGJXFJNYPPPTOM-UHFFFAOYSA-N
MW509.54 g/mol
LogP3.37
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one (PubChem CID 118863709) has the molecular formula C25H23N3O7S and a molecular weight of 509.54 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
PubChem CID118863709
Molecular FormulaC25H23N3O7S
Molecular Weight509.54 g/mol
Exact Mass509.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)nc(CO)c1oc(=O)n(Cc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C25H23N3O7S/c1-13-22(14(2)35-27-13)18-9-19-17(10-21(18)33-3)23-24(20(12-29)26-19)34-25(30)28(23)11-15-5-7-16(8-6-15)36(4,31)32/h5-10,29H,11-12H2,1-4H3
InChIKeyWGJXFJNYPPPTOM-UHFFFAOYSA-N
XLogP3.37
TPSA137.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-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

Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 118863733
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 86302790
3-[1-[(4-chlorophenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]propanenitrile
CID 70664019
ethyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-oxo-1H-[1,3]oxazolo[5,4-c]quinoline-4-carboxylate
CID 140700753
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 70664326
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86298324
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
1-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one
CID 135203498
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(2-methoxyethyl)imidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
CID 86295276

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one (CID 118863709) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)nc(CO)c1oc(=O)n(Cc3ccc(S(C)(=O)=O)cc3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The InChIKey is WGJXFJNYPPPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O7S/c1-13-22(14(2)35-27-13)18-9-19-17(10-21(18)33-3)23-24(20(12-29)26-19)34-25(30)28(23)11-15-5-7-16(8-6-15)36(4,31)32/h5-10,29H,11-12H2,1-4H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one has a molecular weight of 509.54 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(hydroxymethyl)-8-methoxy-1-[(4-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is sourced from PubChem (CID 118863709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).