3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine

C17H16N2O2S — CID 144638025

IUPAC3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
SMILESCSc1ccc(OCc2ccc(-c3nocc3N)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-22-15-8-6-14(7-9-15)20-10-12-2-4-13(5-3-12)17-16(18)11-21-19-17/h2-9,11H,10,18H2,1H3
InChIKeyGDBDWVFFICCNDA-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.22
Rot. Bonds5

About 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine

3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine (PubChem CID 144638025) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
PubChem CID144638025
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
SMILESCSc1ccc(OCc2ccc(-c3nocc3N)cc2)cc1
InChIInChI=1S/C17H16N2O2S/c1-22-15-8-6-14(7-9-15)20-10-12-2-4-13(5-3-12)17-16(18)11-21-19-17/h2-9,11H,10,18H2,1H3
InChIKeyGDBDWVFFICCNDA-UHFFFAOYSA-N
XLogP4.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(4-phenylsulfanylphenyl)methoxy]phenyl]-1,2-oxazol-4-amine
CID 144638030
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
3-[4-[[3-(fluoromethoxy)phenyl]methoxy]phenyl]-1,2-oxazol-4-amine
CID 118489513
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
CID 69309683
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763
4-[(4-methylsulfanylphenoxy)methyl]-2-nitroaniline
CID 63649231
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
2-[(4-methylsulfanylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79999898

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine?
The IUPAC name of 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine (CID 144638025) is 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine is CSc1ccc(OCc2ccc(-c3nocc3N)cc2)cc1.
What is the InChIKey of 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine?
The InChIKey is GDBDWVFFICCNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-22-15-8-6-14(7-9-15)20-10-12-2-4-13(5-3-12)17-16(18)11-21-19-17/h2-9,11H,10,18H2,1H3.
What are the key properties of 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine?
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine has a molecular weight of 312.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 144638025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).