6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one

C9H14N2O2 — CID 83846754

IUPAC6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c([nH]oc2=O)C1
InChIInChI=1S/C9H14N2O2/c1-6(2)11-4-3-7-8(5-11)10-13-9(7)12/h6,10H,3-5H2,1-2H3
InChIKeyMDGSITSGBZTMCD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds1

About 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one

6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one (PubChem CID 83846754) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
PubChem CID83846754
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c([nH]oc2=O)C1
InChIInChI=1S/C9H14N2O2/c1-6(2)11-4-3-7-8(5-11)10-13-9(7)12/h6,10H,3-5H2,1-2H3
InChIKeyMDGSITSGBZTMCD-UHFFFAOYSA-N
XLogP0.73
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
CID 83846494
5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83845987
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
6-nitro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 68823981
6-ethyl-7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 122642796
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 142546665
methanethione;7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144820979
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
N-methyl-1-propan-2-ylpyrrolidin-3-imine
CID 129120591

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one (CID 83846754) is 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one is CC(C)N1CCc2c([nH]oc2=O)C1.
What is the InChIKey of 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The InChIKey is MDGSITSGBZTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)11-4-3-7-8(5-11)10-13-9(7)12/h6,10H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83846754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).