1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine

C14H18N2O2S — CID 106927297

IUPAC1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(CSc2ncco2)c1
InChIInChI=1S/C14H18N2O2S/c1-10(15-2)11-4-5-13(17-3)12(8-11)9-19-14-16-6-7-18-14/h4-8,10,15H,9H2,1-3H3
InChIKeyQBHKYTQWDJGPQB-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.26
Rot. Bonds6

About 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine

1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine (PubChem CID 106927297) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
PubChem CID106927297
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(CSc2ncco2)c1
InChIInChI=1S/C14H18N2O2S/c1-10(15-2)11-4-5-13(17-3)12(8-11)9-19-14-16-6-7-18-14/h4-8,10,15H,9H2,1-3H3
InChIKeyQBHKYTQWDJGPQB-UHFFFAOYSA-N
XLogP3.26
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 106927422
1-[3-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-methoxyphenyl]-N-methylethanamine
CID 64631451
1-[4-methoxy-3-(oxan-4-ylsulfanylmethyl)phenyl]-N-methylethanamine
CID 64626374
1-[3-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 106923151
[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 106923784
1-(2,4-dimethoxyphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927417
1-[4-ethoxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-N-methylethanamine
CID 64650704
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
1-[3-(ethylsulfinylmethyl)-4-methoxyphenyl]-N-methylethanamine
CID 64651086
1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
CID 62859874
1-[3-(3,3-dimethylbutoxymethyl)-4-methoxyphenyl]-N-methylethanamine
CID 66232006
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine (CID 106927297) is 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(OC)c(CSc2ncco2)c1.
What is the InChIKey of 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
The InChIKey is QBHKYTQWDJGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(15-2)11-4-5-13(17-3)12(8-11)9-19-14-16-6-7-18-14/h4-8,10,15H,9H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine?
1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 106927297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).