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

C9H12N2O2 — CID 153334406

IUPAC5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCC(C)N1CCc2oncc2C1=O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-4-3-8-7(9(11)12)5-10-13-8/h5-6H,3-4H2,1-2H3
InChIKeyURIWHJWXHXLXQY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.08
Rot. Bonds1

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

5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (PubChem CID 153334406) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
PubChem CID153334406
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
SMILESCC(C)N1CCc2oncc2C1=O
InChIInChI=1S/C9H12N2O2/c1-6(2)11-4-3-8-7(9(11)12)5-10-13-8/h5-6H,3-4H2,1-2H3
InChIKeyURIWHJWXHXLXQY-UHFFFAOYSA-N
XLogP1.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one (CID 153334406) is 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is CC(C)N1CCc2oncc2C1=O.
What is the InChIKey of 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
The InChIKey is URIWHJWXHXLXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)11-4-3-8-7(9(11)12)5-10-13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one?
5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one has a molecular weight of 180.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 153334406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).