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

C11H11FN2OS — CID 106921761

IUPAC2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1cccc(F)c1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-2-8(6-9)10(7-13)16-11-14-4-5-15-11/h1-6,10H,7,13H2
InChIKeyWZZULJUMFUDQSX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.61
Rot. Bonds4

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

2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106921761) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106921761
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESNCC(Sc1ncco1)c1cccc(F)c1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-2-8(6-9)10(7-13)16-11-14-4-5-15-11/h1-6,10H,7,13H2
InChIKeyWZZULJUMFUDQSX-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106921761) is 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is NCC(Sc1ncco1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is WZZULJUMFUDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-3-1-2-8(6-9)10(7-13)16-11-14-4-5-15-11/h1-6,10H,7,13H2.
What are the key properties of 2-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
2-(3-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-(3-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106921761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).