5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid

C11H13N3O5 — CID 66789777

IUPAC5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1C2CNCC21)OCc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O5/c15-10(16)8-1-5(19-14-8)4-18-11(17)13-9-6-2-12-3-7(6)9/h1,6-7,9,12H,2-4H2,(H,13,17)(H,15,16)
InChIKeyPDJSRQDLVHEFEF-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.18
Rot. Bonds4

About 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid

5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 66789777) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID66789777
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(NC1C2CNCC21)OCc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O5/c15-10(16)8-1-5(19-14-8)4-18-11(17)13-9-6-2-12-3-7(6)9/h1,6-7,9,12H,2-4H2,(H,13,17)(H,15,16)
InChIKeyPDJSRQDLVHEFEF-UHFFFAOYSA-N
XLogP-0.18
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid with MolForge

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Related Compounds

5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90107886
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
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
5-[[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamoyloxymethyl]-1,2-oxazole-3-carboxylic acid
CID 68763472
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 64730368
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144

Frequently Asked Questions

What is the IUPAC name of 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid (CID 66789777) is 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(NC1C2CNCC21)OCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PDJSRQDLVHEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-10(16)8-1-5(19-14-8)4-18-11(17)13-9-6-2-12-3-7(6)9/h1,6-7,9,12H,2-4H2,(H,13,17)(H,15,16).
What are the key properties of 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 66789777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).