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

C10H18N2O3S — CID 104522638

IUPACN-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(C(C)S(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-8(16(3,13)14)9-7-12-10(15-9)5-4-6-11-2/h7-8,11H,4-6H2,1-3H3
InChIKeyPHAGJQDWUYHENO-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.93
Rot. Bonds6

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

N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 104522638) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID104522638
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(C(C)S(C)(=O)=O)o1
InChIInChI=1S/C10H18N2O3S/c1-8(16(3,13)14)9-7-12-10(15-9)5-4-6-11-2/h7-8,11H,4-6H2,1-3H3
InChIKeyPHAGJQDWUYHENO-UHFFFAOYSA-N
XLogP0.93
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.93
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

2-(chloromethyl)-5-(1-methylsulfonylethyl)-1,3-oxazole
CID 104522592
[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methanamine
CID 104522601
N-[[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 104522610
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187194
N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187355
3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186829
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596
4-(5-propan-2-yl-1,3-oxazol-2-yl)butanoic acid
CID 84667621
N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
CID 115087026

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 104522638) is N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine is CNCCCc1ncc(C(C)S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is PHAGJQDWUYHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-8(16(3,13)14)9-7-12-10(15-9)5-4-6-11-2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine?
N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 246.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 104522638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).