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

C15H20N2O3S — CID 106927222

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20N2O3S/c1-4-16-13(10-21-15-17-7-8-20-15)12-6-5-11(18-2)9-14(12)19-3/h5-9,13,16H,4,10H2,1-3H3
InChIKeyVCSZRGVWOKFUKU-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.13
Rot. Bonds8

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

1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106927222) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106927222
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1ccc(OC)cc1OC
InChIInChI=1S/C15H20N2O3S/c1-4-16-13(10-21-15-17-7-8-20-15)12-6-5-11(18-2)9-14(12)19-3/h5-9,13,16H,4,10H2,1-3H3
InChIKeyVCSZRGVWOKFUKU-UHFFFAOYSA-N
XLogP3.13
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927383
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106927222) is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is CCNC(CSc1ncco1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is VCSZRGVWOKFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-16-13(10-21-15-17-7-8-20-15)12-6-5-11(18-2)9-14(12)19-3/h5-9,13,16H,4,10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 308.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).