5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid

C11H14N2O5 — CID 19814775

IUPAC5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ncc(C23CCCN(C2)C3)o1
InChIInChI=1S/C9H12N2O.C2H2O4/c1-2-9(5-11(3-1)6-9)8-4-10-7-12-8;3-1(4)2(5)6/h4,7H,1-3,5-6H2;(H,3,4)(H,5,6)
InChIKeyDUYPHUORTOAUQS-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.18
Rot. Bonds1

About 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid

5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid (PubChem CID 19814775) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid.

Molecular Properties

Compound Name5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid
PubChem CID19814775
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid
SMILESO=C(O)C(=O)O.c1ncc(C23CCCN(C2)C3)o1
InChIInChI=1S/C9H12N2O.C2H2O4/c1-2-9(5-11(3-1)6-9)8-4-10-7-12-8;3-1(4)2(5)6/h4,7H,1-3,5-6H2;(H,3,4)(H,5,6)
InChIKeyDUYPHUORTOAUQS-UHFFFAOYSA-N
XLogP0.18
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(Z)-1-azabicyclo[2.2.1]heptan-3-ylidenemethyl]-1,3-oxazole;oxalic acid
CID 67796473
[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110138821
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
5-(6-phenyl-3-pyridinyl)-1-azabicyclo[3.2.1]octane
CID 12069069
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 110835478
(3aS,8aS)-5-(5-methylpyrimidin-2-yl)-2-(1,3-oxazol-5-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124912984
2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
CID 118010900
7-methyl-2-(3-phenyloxaziridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 169211424
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
tert-butyl (4R)-4-(1,3-oxazol-5-yl)azepane-1-carboxylate
CID 170904619
5-[6-(furan-3-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane;hydrobromide
CID 69060308

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid?
The IUPAC name of 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid (CID 19814775) is 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid.
What is the SMILES notation for 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid?
The canonical SMILES for 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid is O=C(O)C(=O)O.c1ncc(C23CCCN(C2)C3)o1.
What is the InChIKey of 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid?
The InChIKey is DUYPHUORTOAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H2O4/c1-2-9(5-11(3-1)6-9)8-4-10-7-12-8;3-1(4)2(5)6/h4,7H,1-3,5-6H2;(H,3,4)(H,5,6).
What are the key properties of 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid?
5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid has a molecular weight of 254.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[3.1.1]heptan-5-yl)-1,3-oxazole;oxalic acid is sourced from PubChem (CID 19814775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).