5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid

C12H15N3O5 — CID 90107886

IUPAC5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1CC2(CNC2)C1)OCc1cc(C(=O)O)no1
InChIInChI=1S/C12H15N3O5/c16-10(17)9-1-8(20-15-9)4-19-11(18)14-7-2-12(3-7)5-13-6-12/h1,7,13H,2-6H2,(H,14,18)(H,16,17)
InChIKeyUMFBZLLXVIFRGG-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.35
Rot. Bonds4

About 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid

5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 90107886) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID90107886
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1CC2(CNC2)C1)OCc1cc(C(=O)O)no1
InChIInChI=1S/C12H15N3O5/c16-10(17)9-1-8(20-15-9)4-19-11(18)14-7-2-12(3-7)5-13-6-12/h1,7,13H,2-6H2,(H,14,18)(H,16,17)
InChIKeyUMFBZLLXVIFRGG-UHFFFAOYSA-N
XLogP0.35
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic 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-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66789777
5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid
CID 68763472
(3-carbamoyl-1,2-oxazol-5-yl)methyl N-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamate
CID 46853375
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(6-azaspiro[3.4]octan-2-ylmethyl)carbamate;2,2,2-trifluoroacetic acid
CID 158770956
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate
CID 66661175
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
6-[(3-ethoxycarbonyl-1,2-oxazol-5-yl)methoxycarbonylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 67607889
5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
[3-[hydroxy(methylamino)methyl]-1,2-oxazol-5-yl]methyl N-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamate
CID 90981021
5-(3-aminopropyl)-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 146150203
1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
CID 171824263

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid (CID 90107886) is 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(NC1CC2(CNC2)C1)OCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UMFBZLLXVIFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-10(17)9-1-8(20-15-9)4-19-11(18)14-7-2-12(3-7)5-13-6-12/h1,7,13H,2-6H2,(H,14,18)(H,16,17).
What are the key properties of 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).