3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione

C7H6N2O3 — CID 154341534

IUPAC3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCn1c(=O)oc2cc[nH]c(=O)c21
InChIInChI=1S/C7H6N2O3/c1-9-5-4(12-7(9)11)2-3-8-6(5)10/h2-3H,1H3,(H,8,10)
InChIKeyPTWTZXQUETYYDW-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.18
Rot. Bonds

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

3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (PubChem CID 154341534) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
PubChem CID154341534
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
SMILESCn1c(=O)oc2cc[nH]c(=O)c21
InChIInChI=1S/C7H6N2O3/c1-9-5-4(12-7(9)11)2-3-8-6(5)10/h2-3H,1H3,(H,8,10)
InChIKeyPTWTZXQUETYYDW-UHFFFAOYSA-N
XLogP-0.18
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The IUPAC name of 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione (CID 154341534) is 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione.
What is the SMILES notation for 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The canonical SMILES for 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is Cn1c(=O)oc2cc[nH]c(=O)c21.
What is the InChIKey of 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
The InChIKey is PTWTZXQUETYYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-9-5-4(12-7(9)11)2-3-8-6(5)10/h2-3H,1H3,(H,8,10).
What are the key properties of 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione?
3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione is sourced from PubChem (CID 154341534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).