1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine

C14H17FN2OS — CID 106923277

IUPAC1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C14H17FN2OS/c1-8-10(3)18-14(17-8)19-12-7-5-6-11(15)13(12)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyREYIXBHHDOJBIW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds4

About 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine (PubChem CID 106923277) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
PubChem CID106923277
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C14H17FN2OS/c1-8-10(3)18-14(17-8)19-12-7-5-6-11(15)13(12)9(2)16-4/h5-7,9,16H,1-4H3
InChIKeyREYIXBHHDOJBIW-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine (CID 106923277) is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
The InChIKey is REYIXBHHDOJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-8-10(3)18-14(17-8)19-12-7-5-6-11(15)13(12)9(2)16-4/h5-7,9,16H,1-4H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine?
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 106923277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).