N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

C11H20N2O3S — CID 65183862

IUPACN-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C11H20N2O3S/c1-8(2)12-7-10-13-6-9(16-10)11(3,4)17(5,14)15/h6,8,12H,7H2,1-5H3
InChIKeyMOJCSOYAFAESPY-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.45
Rot. Bonds5

About N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine

N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65183862) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65183862
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C11H20N2O3S/c1-8(2)12-7-10-13-6-9(16-10)11(3,4)17(5,14)15/h6,8,12H,7H2,1-5H3
InChIKeyMOJCSOYAFAESPY-UHFFFAOYSA-N
XLogP1.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65183862) is N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(C(C)(C)S(C)(=O)=O)o1.
What is the InChIKey of N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is MOJCSOYAFAESPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)12-7-10-13-6-9(16-10)11(3,4)17(5,14)15/h6,8,12H,7H2,1-5H3.
What are the key properties of N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 260.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).