2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C11H11FN2OS — CID 106921768

IUPAC2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2
InChIKeyPEUXFTWFRWOUFG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106921768) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106921768
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2
InChIKeyPEUXFTWFRWOUFG-UHFFFAOYSA-N
XLogP2.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluoro-3-methylphenyl)methylsulfinyl]-1,3-oxazole
CID 67022440
2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluoro-3-methylphenyl)methylsulfonyl]-1,3-oxazole
CID 67022678
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2-Chloro-3,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022689
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-[3-(3-Azabicyclo[3.1.0]hexan-3-yl)propylsulfanyl]-1,3-oxazole;trifluoromethylbenzene
CID 143368660
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106921768) is 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is NCC(Sc1ncco1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is PEUXFTWFRWOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-3-1-8(2-4-9)10(7-13)16-11-14-5-6-15-11/h1-6,10H,7,13H2.
What are the key properties of 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106921768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).