1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine

C12H13FN2OS — CID 106921815

IUPAC1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncco1)c1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-8(14)11(17-12-15-6-7-16-12)9-4-2-3-5-10(9)13/h2-8,11H,14H2,1H3
InChIKeyIQAUJMZORAQAIF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine

1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine (PubChem CID 106921815) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine
PubChem CID106921815
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncco1)c1ccccc1F
InChIInChI=1S/C12H13FN2OS/c1-8(14)11(17-12-15-6-7-16-12)9-4-2-3-5-10(9)13/h2-8,11H,14H2,1H3
InChIKeyIQAUJMZORAQAIF-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)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-(1,3-oxazol-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine (CID 106921815) is 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine is CC(N)C(Sc1ncco1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine?
The InChIKey is IQAUJMZORAQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8(14)11(17-12-15-6-7-16-12)9-4-2-3-5-10(9)13/h2-8,11H,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine?
1-(2-fluorophenyl)-1-(1,3-oxazol-2-ylsulfanyl)propan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.99, 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-(1,3-oxazol-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 106921815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).