1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

C15H20N2O3S — CID 106927797

IUPAC1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc(C)co1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H20N2O3S/c1-10-8-20-15(17-10)21-9-13(16-2)12-7-11(18-3)5-6-14(12)19-4/h5-8,13,16H,9H2,1-4H3
InChIKeyORTGDDXGBVBWHV-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.05
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 106927797) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID106927797
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc(C)co1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H20N2O3S/c1-10-8-20-15(17-10)21-9-13(16-2)12-7-11(18-3)5-6-14(12)19-4/h5-8,13,16H,9H2,1-4H3
InChIKeyORTGDDXGBVBWHV-UHFFFAOYSA-N
XLogP3.05
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64626734
1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927779
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64621017
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147
1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627745
1-(4-ethoxyphenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927594
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 106924339
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62799340

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 106927797) is 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is CNC(CSc1nc(C)co1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is ORTGDDXGBVBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-8-20-15(17-10)21-9-13(16-2)12-7-11(18-3)5-6-14(12)19-4/h5-8,13,16H,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 308.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 106927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).