(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C16H16N2O3 — CID 175999156

IUPAC(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1-c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-9-13(10-5-3-2-4-6-10)15(17-21-9)14-11-7-18(16(19)20)8-12(11)14/h2-6,11-12,14H,7-8H2,1H3,(H,19,20)/t11-,12+,14?
InChIKeyDXNUPDHFFURAEJ-ONXXMXGDSA-N
MW284.31 g/mol
LogP2.97
Rot. Bonds2

About (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 175999156) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID175999156
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1-c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-9-13(10-5-3-2-4-6-10)15(17-21-9)14-11-7-18(16(19)20)8-12(11)14/h2-6,11-12,14H,7-8H2,1H3,(H,19,20)/t11-,12+,14?
InChIKeyDXNUPDHFFURAEJ-ONXXMXGDSA-N
XLogP2.97
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 175999156) is (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is Cc1onc(C2[C@H]3CN(C(=O)O)C[C@@H]23)c1-c1ccccc1.
What is the InChIKey of (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is DXNUPDHFFURAEJ-ONXXMXGDSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-13(10-5-3-2-4-6-10)15(17-21-9)14-11-7-18(16(19)20)8-12(11)14/h2-6,11-12,14H,7-8H2,1H3,(H,19,20)/t11-,12+,14?.
What are the key properties of (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-(5-methyl-4-phenyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 175999156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).