1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine

C13H15FN2OS — CID 106922019

IUPAC1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccccc2F)C(C)N)n1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-5-3-4-6-11(10)14/h3-7,9,12H,15H2,1-2H3
InChIKeyQLFFQOMRMFMBIB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine

1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 106922019) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
PubChem CID106922019
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
SMILESCc1coc(SC(c2ccccc2F)C(C)N)n1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-5-3-4-6-11(10)14/h3-7,9,12H,15H2,1-2H3
InChIKeyQLFFQOMRMFMBIB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine (CID 106922019) is 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is Cc1coc(SC(c2ccccc2F)C(C)N)n1.
What is the InChIKey of 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is QLFFQOMRMFMBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-7-17-13(16-8)18-12(9(2)15)10-5-3-4-6-11(10)14/h3-7,9,12H,15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine?
1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 106922019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).