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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Related Compounds

4-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 56786299
2-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 71857462
N-methyl-1-(2-methylsulfonylethyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71872540
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872553
N-[3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]propyl]methanesulfonamide
CID 71872556
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
CID 71928346
2-[(5-Propan-2-yl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 72015278
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-amine
CID 72122768
3-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 72122771
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
CID 71983339
1-[5-(2-Fluoropropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 84766268
1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 84770100

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).