3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine

C9H13N3O — CID 175860962

IUPAC3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(C2[C@H]3CNC[C@@H]23)c1N
InChIInChI=1S/C9H13N3O/c1-4-8(10)9(12-13-4)7-5-2-11-3-6(5)7/h5-7,11H,2-3,10H2,1H3/t5-,6+,7?
InChIKeyVWKHPNFUFFWMBJ-MEKDEQNOSA-N
MW179.22 g/mol
LogP0.50
Rot. Bonds1

About 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine

3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine (PubChem CID 175860962) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine
PubChem CID175860962
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(C2[C@H]3CNC[C@@H]23)c1N
InChIInChI=1S/C9H13N3O/c1-4-8(10)9(12-13-4)7-5-2-11-3-6(5)7/h5-7,11H,2-3,10H2,1H3/t5-,6+,7?
InChIKeyVWKHPNFUFFWMBJ-MEKDEQNOSA-N
XLogP0.50
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine (CID 175860962) is 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine is Cc1onc(C2[C@H]3CNC[C@@H]23)c1N.
What is the InChIKey of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine?
The InChIKey is VWKHPNFUFFWMBJ-MEKDEQNOSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-8(10)9(12-13-4)7-5-2-11-3-6(5)7/h5-7,11H,2-3,10H2,1H3/t5-,6+,7?.
What are the key properties of 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine?
3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine has a molecular weight of 179.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 175860962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).