5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one

C17H18N2O5S — CID 118028193

IUPAC5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCCCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2ocnc12
InChIInChI=1S/C17H18N2O5S/c1-4-7-23-14-6-5-11(25(3,21)22)8-12(14)13-9-19(2)17(20)16-15(13)18-10-24-16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyJDHZFPPWDUJMHH-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.39
Rot. Bonds5

About 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one

5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one (PubChem CID 118028193) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one
PubChem CID118028193
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one
SMILESCCCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2ocnc12
InChIInChI=1S/C17H18N2O5S/c1-4-7-23-14-6-5-11(25(3,21)22)8-12(14)13-9-19(2)17(20)16-15(13)18-10-24-16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyJDHZFPPWDUJMHH-UHFFFAOYSA-N
XLogP2.39
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
5-methyl-7-[5-(methylsulfonylmethyl)-2-(2,2,2-trifluoroethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 118022626
4-(5-methylsulfonyl-2-propoxyphenyl)-2H-isoquinolin-1-one
CID 118021503
4-(2-ethoxy-5-methylsulfonylphenyl)-2-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118021678
3-(5-methyl-4-oxo-7-propyl-3H-pyrrolo[3,2-c]pyridin-2-yl)-4-propoxybenzenesulfonyl chloride
CID 135386362
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methyl-2,6-naphthyridin-1-one
CID 118028015
6-ethyl-4-(2-methoxy-5-methylsulfonylphenyl)-2-methyl-7,8-dihydro-5H-2,6-naphthyridin-1-one
CID 118028040
4-(2-ethoxy-5-methylsulfonylphenyl)-6-(4-fluoropyrazol-1-yl)-2-methylisoquinolin-1-one
CID 118027971
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)phenyl]-5-methyl-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 153179462
7-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-5-methyl-2-(trifluoromethyl)furo[3,2-c]pyridin-4-one
CID 118028094
6-chloro-4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CID 118027910
4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one
CID 118028287

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one (CID 118028193) is 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one is CCCOc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2ocnc12.
What is the InChIKey of 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
The InChIKey is JDHZFPPWDUJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-4-7-23-14-6-5-11(25(3,21)22)8-12(14)13-9-19(2)17(20)16-15(13)18-10-24-16/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one?
5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one has a molecular weight of 362.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(5-methylsulfonyl-2-propoxyphenyl)-[1,3]oxazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 118028193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).