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

C12H22N2O3S — CID 65182243

IUPACN-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C12H22N2O3S/c1-9(2)13-7-6-11-14-8-10(17-11)12(3,4)18(5,15)16/h8-9,13H,6-7H2,1-5H3
InChIKeyRQABHDWPRQAGPV-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.49
Rot. Bonds6

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

N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 65182243) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID65182243
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(C(C)(C)S(C)(=O)=O)o1
InChIInChI=1S/C12H22N2O3S/c1-9(2)13-7-6-11-14-8-10(17-11)12(3,4)18(5,15)16/h8-9,13H,6-7H2,1-5H3
InChIKeyRQABHDWPRQAGPV-UHFFFAOYSA-N
XLogP1.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 65182243) is N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(C(C)(C)S(C)(=O)=O)o1.
What is the InChIKey of N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is RQABHDWPRQAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(2)13-7-6-11-14-8-10(17-11)12(3,4)18(5,15)16/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65182243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).