5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

C6H8N2O2 — CID 172865442

IUPAC5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILES[2H]C1NC([2H])([2H])Cc2c1o[nH]c2=O
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/i2D2,3D
InChIKeyZXRVKCBLGJOCEE-UHVFUKFASA-N
MW143.16 g/mol
LogP-0.39
Rot. Bonds

About 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one

5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (PubChem CID 172865442) has the molecular formula C6H8N2O2 and a molecular weight of 143.16 g/mol. Its IUPAC name is 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.

Molecular Properties

Compound Name5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
PubChem CID172865442
Molecular FormulaC6H8N2O2
Molecular Weight143.16 g/mol
Exact Mass143.08
IUPAC Name5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
SMILES[2H]C1NC([2H])([2H])Cc2c1o[nH]c2=O
InChIInChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/i2D2,3D
InChIKeyZXRVKCBLGJOCEE-UHVFUKFASA-N
XLogP-0.39
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one with MolForge

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Related Compounds

calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 173118428
4,4-dideuterio-1,3-oxazolidin-2-one
CID 175979069
1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
CID 71755460
2-methyl-1,3-oxazolidin-5-one
CID 19595572
(4S)-4-(ethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
CID 101014374
4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one;hydrochloride
CID 122360514
1,4-diazepan-6-one
CID 23090352
2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
CID 24903892
(3aR,6aR)-5,5-dideuterio-3a,4,6,6a-tetrahydro-3H-furo[3,2-b]pyrrol-2-one
CID 171380787
5,6,7,7a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyrrole-2,3-dione
CID 117274137
N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
CID 167975510
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one
CID 71743927

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The IUPAC name of 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one (CID 172865442) is 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one.
What is the SMILES notation for 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The canonical SMILES for 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is [2H]C1NC([2H])([2H])Cc2c1o[nH]c2=O.
What is the InChIKey of 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
The InChIKey is ZXRVKCBLGJOCEE-UHVFUKFASA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)/i2D2,3D.
What are the key properties of 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one?
5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one has a molecular weight of 143.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one is sourced from PubChem (CID 172865442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).