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

C24H21N3O6S — CID 118863733

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3ccccc3S(C)(=O)=O)c12
InChIInChI=1S/C24H21N3O6S/c1-13-22(14(2)33-26-13)17-9-18-16(10-19(17)31-3)23-20(11-25-18)32-24(28)27(23)12-15-7-5-6-8-21(15)34(4,29)30/h5-11H,12H2,1-4H3
InChIKeyYCXRRBRYXBHFMO-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.87
Rot. Bonds5

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one (PubChem CID 118863733) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
PubChem CID118863733
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3ccccc3S(C)(=O)=O)c12
InChIInChI=1S/C24H21N3O6S/c1-13-22(14(2)33-26-13)17-9-18-16(10-19(17)31-3)23-20(11-25-18)32-24(28)27(23)12-15-7-5-6-8-21(15)34(4,29)30/h5-11H,12H2,1-4H3
InChIKeyYCXRRBRYXBHFMO-UHFFFAOYSA-N
XLogP3.87
TPSA117.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline
CID 144719025
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
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
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859
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
[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-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 52934274
[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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-pyridin-2-ylethyl)-3H-imidazo[4,5-c]quinolin-2-one;dihydrochloride
CID 154701303

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The IUPAC name of 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) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-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)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3ccccc3S(C)(=O)=O)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
The InChIKey is YCXRRBRYXBHFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-13-22(14(2)33-26-13)17-9-18-16(10-19(17)31-3)23-20(11-25-18)32-24(28)27(23)12-15-7-5-6-8-21(15)34(4,29)30/h5-11H,12H2,1-4H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one has a molecular weight of 479.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinolin-2-one is sourced from PubChem (CID 118863733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).