2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine

C16H22N2O2S — CID 106927965

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(CSc1nc(C)c(C)o1)c1cccc(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-5-17-15(13-7-6-8-14(9-13)19-4)10-21-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeySQAQOBUTHBGHSD-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.74
Rot. Bonds7

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 106927965) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
PubChem CID106927965
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
SMILESCCNC(CSc1nc(C)c(C)o1)c1cccc(OC)c1
InChIInChI=1S/C16H22N2O2S/c1-5-17-15(13-7-6-8-14(9-13)19-4)10-21-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3
InChIKeySQAQOBUTHBGHSD-UHFFFAOYSA-N
XLogP3.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(4-methylphenyl)ethanamine
CID 106927853
N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 106928061
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine (CID 106927965) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine is CCNC(CSc1nc(C)c(C)o1)c1cccc(OC)c1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SQAQOBUTHBGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-17-15(13-7-6-8-14(9-13)19-4)10-21-16-18-11(2)12(3)20-16/h6-9,15,17H,5,10H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 106927965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).