3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

C11H20N2O3S — CID 65186829

IUPAC3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(CS(C)(=O)=O)o1
InChIInChI=1S/C11H20N2O3S/c1-3-6-12-7-4-5-11-13-8-10(16-11)9-17(2,14)15/h8,12H,3-7,9H2,1-2H3
InChIKeyQPLOOJWPMJINJD-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.15
Rot. Bonds8

About 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine

3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65186829) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65186829
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(CS(C)(=O)=O)o1
InChIInChI=1S/C11H20N2O3S/c1-3-6-12-7-4-5-11-13-8-10(16-11)9-17(2,14)15/h8,12H,3-7,9H2,1-2H3
InChIKeyQPLOOJWPMJINJD-UHFFFAOYSA-N
XLogP1.15
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187355
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106378029
[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]methanamine
CID 65178842
3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187218
3-[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 79083793
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
3-[5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187171
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187076
3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186776
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510
3-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187169

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65186829) is 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(CS(C)(=O)=O)o1.
What is the InChIKey of 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is QPLOOJWPMJINJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-6-12-7-4-5-11-13-8-10(16-11)9-17(2,14)15/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65186829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).