N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine

C10H18N2OS — CID 103893723

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1ncc(C)o1
InChIInChI=1S/C10H18N2OS/c1-8-7-12-10(13-8)9(2)11-5-4-6-14-3/h7,9,11H,4-6H2,1-3H3
InChIKeyNCTJSYLDBFTLOO-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.39
Rot. Bonds6

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine (PubChem CID 103893723) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
PubChem CID103893723
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)c1ncc(C)o1
InChIInChI=1S/C10H18N2OS/c1-8-7-12-10(13-8)9(2)11-5-4-6-14-3/h7,9,11H,4-6H2,1-3H3
InChIKeyNCTJSYLDBFTLOO-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893402
N',N'-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethane-1,2-diamine
CID 104579639
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
1-(5-methyl-1,3-oxazol-2-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 106388143
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pent-3-yn-1-amine
CID 104764634
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 113347391
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
2,2-dimethyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanenitrile
CID 104579885
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
N'-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106388030
2,2-diethoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 113463232

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine (CID 103893723) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine is CSCCCNC(C)c1ncc(C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is NCTJSYLDBFTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-7-12-10(13-8)9(2)11-5-4-6-14-3/h7,9,11H,4-6H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 103893723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).