N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine

C16H22N2OS — CID 106927283

IUPACN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSc2ncco2)NCC)cc1
InChIInChI=1S/C16H22N2OS/c1-3-5-13-6-8-14(9-7-13)15(17-4-2)12-20-16-18-10-11-19-16/h6-11,15,17H,3-5,12H2,1-2H3
InChIKeyLQYAEIMDDOHLLI-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.07
Rot. Bonds8

About N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine (PubChem CID 106927283) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
PubChem CID106927283
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSc2ncco2)NCC)cc1
InChIInChI=1S/C16H22N2OS/c1-3-5-13-6-8-14(9-7-13)15(17-4-2)12-20-16-18-10-11-19-16/h6-11,15,17H,3-5,12H2,1-2H3
InChIKeyLQYAEIMDDOHLLI-UHFFFAOYSA-N
XLogP4.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927383
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924873
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106924241
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64629635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine (CID 106927283) is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CSc2ncco2)NCC)cc1.
What is the InChIKey of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is LQYAEIMDDOHLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-5-13-6-8-14(9-7-13)15(17-4-2)12-20-16-18-10-11-19-16/h6-11,15,17H,3-5,12H2,1-2H3.
What are the key properties of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 106927283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).