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

C14H18N2O3S — CID 106927417

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1ncco1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-15-12(9-20-14-16-6-7-19-14)11-5-4-10(17-2)8-13(11)18-3/h4-8,12,15H,9H2,1-3H3
InChIKeyWLRWYAOIMSACIY-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.74
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106927417) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106927417
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1ncco1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-15-12(9-20-14-16-6-7-19-14)11-5-4-10(17-2)8-13(11)18-3/h4-8,12,15H,9H2,1-3H3
InChIKeyWLRWYAOIMSACIY-UHFFFAOYSA-N
XLogP2.74
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784147
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64650748
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927797
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106927213
1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927297
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64621017
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106927417) is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is CNC(CSc1ncco1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is WLRWYAOIMSACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-15-12(9-20-14-16-6-7-19-14)11-5-4-10(17-2)8-13(11)18-3/h4-8,12,15H,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 294.38 g/mol, XLogP of 2.74, 7 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-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106927417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).