7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C15H14N2O5S — CID 22271080

IUPAC7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C15H14N2O5S/c1-9-7-17(14(18)12-13(9)22-15(19)16-12)8-10-3-5-11(6-4-10)23(2,20)21/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyYJZZBZLYCLMZAM-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.04
Rot. Bonds3

About 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 22271080) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID22271080
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCc1cn(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2[nH]c(=O)oc12
InChIInChI=1S/C15H14N2O5S/c1-9-7-17(14(18)12-13(9)22-15(19)16-12)8-10-3-5-11(6-4-10)23(2,20)21/h3-7H,8H2,1-2H3,(H,16,19)
InChIKeyYJZZBZLYCLMZAM-UHFFFAOYSA-N
XLogP1.04
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 22271080) is 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2[nH]c(=O)oc12.
What is the InChIKey of 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is YJZZBZLYCLMZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-9-7-17(14(18)12-13(9)22-15(19)16-12)8-10-3-5-11(6-4-10)23(2,20)21/h3-7H,8H2,1-2H3,(H,16,19).
What are the key properties of 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[(4-methylsulfonylphenyl)methyl]-3H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 22271080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).