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

C13H15FN2OS — CID 106922174

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine
SMILESCc1nc(SC(CN)c2ccc(F)cc2)oc1C
InChIInChI=1S/C13H15FN2OS/c1-8-9(2)17-13(16-8)18-12(7-15)10-3-5-11(14)6-4-10/h3-6,12H,7,15H2,1-2H3
InChIKeyFQLMAQPGLNWLPM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.22
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 106922174) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine
PubChem CID106922174
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine
SMILESCc1nc(SC(CN)c2ccc(F)cc2)oc1C
InChIInChI=1S/C13H15FN2OS/c1-8-9(2)17-13(16-8)18-12(7-15)10-3-5-11(14)6-4-10/h3-6,12H,7,15H2,1-2H3
InChIKeyFQLMAQPGLNWLPM-UHFFFAOYSA-N
XLogP3.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9423614
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9422950
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 9457338
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
1-(2,5-Difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 53587719
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 54881571
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 54882158
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 54882267
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 56735164
2-[(2-Bromo-4-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 60436690
2-[(2,3-Difluorophenyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
CID 60436709

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine (CID 106922174) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine is Cc1nc(SC(CN)c2ccc(F)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is FQLMAQPGLNWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-9(2)17-13(16-8)18-12(7-15)10-3-5-11(14)6-4-10/h3-6,12H,7,15H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 106922174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).