5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid

C12H16N2O5 — CID 82379521

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2noc(C(=O)O)c2C1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)9(10(15)16)19-13-8/h4-6H2,1-3H3,(H,15,16)
InChIKeyHGBVDYCVYOFKJF-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.67
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 82379521) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID82379521
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2noc(C(=O)O)c2C1
InChIInChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)9(10(15)16)19-13-8/h4-6H2,1-3H3,(H,15,16)
InChIKeyHGBVDYCVYOFKJF-UHFFFAOYSA-N
XLogP1.67
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid (CID 82379521) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCc2noc(C(=O)O)c2C1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is HGBVDYCVYOFKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)9(10(15)16)19-13-8/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 82379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).