ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole

C12H20N2O — CID 176692737

IUPACethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
SMILESCC.Cc1nc(C2C3CN(C)CC32)co1
InChIInChI=1S/C10H14N2O.C2H6/c1-6-11-9(5-13-6)10-7-3-12(2)4-8(7)10;1-2/h5,7-8,10H,3-4H2,1-2H3;1-2H3
InChIKeyUKYJHZOWKVDWOS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.28
Rot. Bonds1

About ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole

ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole (PubChem CID 176692737) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
PubChem CID176692737
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Nameethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole
SMILESCC.Cc1nc(C2C3CN(C)CC32)co1
InChIInChI=1S/C10H14N2O.C2H6/c1-6-11-9(5-13-6)10-7-3-12(2)4-8(7)10;1-2/h5,7-8,10H,3-4H2,1-2H3;1-2H3
InChIKeyUKYJHZOWKVDWOS-UHFFFAOYSA-N
XLogP2.28
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The IUPAC name of ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole (CID 176692737) is ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole.
What is the SMILES notation for ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The canonical SMILES for ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole is CC.Cc1nc(C2C3CN(C)CC32)co1.
What is the InChIKey of ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
The InChIKey is UKYJHZOWKVDWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C2H6/c1-6-11-9(5-13-6)10-7-3-12(2)4-8(7)10;1-2/h5,7-8,10H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole?
ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole has a molecular weight of 208.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3-oxazole is sourced from PubChem (CID 176692737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).