4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one

C8H10N2O2 — CID 142177770

IUPAC4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
SMILESCC1C(=O)N(C)Cc2oncc21
InChIInChI=1S/C8H10N2O2/c1-5-6-3-9-12-7(6)4-10(2)8(5)11/h3,5H,4H2,1-2H3
InChIKeyMGZGKRIRTZCUJC-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.75
Rot. Bonds

About 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one

4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one (PubChem CID 142177770) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
PubChem CID142177770
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one
SMILESCC1C(=O)N(C)Cc2oncc21
InChIInChI=1S/C8H10N2O2/c1-5-6-3-9-12-7(6)4-10(2)8(5)11/h3,5H,4H2,1-2H3
InChIKeyMGZGKRIRTZCUJC-UHFFFAOYSA-N
XLogP0.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one?
The IUPAC name of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one (CID 142177770) is 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one is CC1C(=O)N(C)Cc2oncc21.
What is the InChIKey of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one?
The InChIKey is MGZGKRIRTZCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-6-3-9-12-7(6)4-10(2)8(5)11/h3,5H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one?
4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one has a molecular weight of 166.18 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 142177770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).