2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid

C12H16N2O5 — CID 19887592

IUPAC2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid
SMILESCc1cnc(C23CCN(CC2)C3)o1.O=C(O)C(=O)O
InChIInChI=1S/C10H14N2O.C2H2O4/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10;3-1(4)2(5)6/h6H,2-5,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyRZEBBXIVIXBMBT-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.49
Rot. Bonds1

About 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid

2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid (PubChem CID 19887592) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid
PubChem CID19887592
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid
SMILESCc1cnc(C23CCN(CC2)C3)o1.O=C(O)C(=O)O
InChIInChI=1S/C10H14N2O.C2H2O4/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10;3-1(4)2(5)6/h6H,2-5,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyRZEBBXIVIXBMBT-UHFFFAOYSA-N
XLogP0.49
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
CID 19018570
2-(1-Azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole
CID 19887593
2-(1-Azabicyclo[2.2.1]heptan-4-yl)-1,3-oxazole;oxalic acid
CID 67759737
4'-(5-Methyl-1,3-oxazol-2-yl)spiro[1,3-dioxolane-2,2'-1-azabicyclo[2.2.1]heptane]-4,5-dione
CID 139726262
2-[4-(5-Methyl-1,3-oxazol-2-yl)piperidin-1-yl]acetic acid
CID 83891676
1-(5-Methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid
CID 110835173
1-[2-(5-Methyl-1,3-oxazol-2-yl)acetyl]piperidine-4-carboxylic acid
CID 110836103

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid?
The IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid (CID 19887592) is 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid.
What is the SMILES notation for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid?
The canonical SMILES for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid is Cc1cnc(C23CCN(CC2)C3)o1.O=C(O)C(=O)O.
What is the InChIKey of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid?
The InChIKey is RZEBBXIVIXBMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2H2O4/c1-8-6-11-9(13-8)10-2-4-12(7-10)5-3-10;3-1(4)2(5)6/h6H,2-5,7H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid?
2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid has a molecular weight of 268.27 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.1]heptan-4-yl)-5-methyl-1,3-oxazole;oxalic acid is sourced from PubChem (CID 19887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).