(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H17FN2O — CID 24963630

IUPAC(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(C[C@H]1COC(N)=N1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-9(7-12-8-17-13(15)16-12)10-4-3-5-11(14)6-10/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9?,12-/m0/s1
InChIKeyPYKKVOQNJFGGGD-ACGXKRRESA-N
MW236.29 g/mol
LogP2.42
Rot. Bonds4

About (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24963630) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24963630
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(C[C@H]1COC(N)=N1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-2-9(7-12-8-17-13(15)16-12)10-4-3-5-11(14)6-10/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9?,12-/m0/s1
InChIKeyPYKKVOQNJFGGGD-ACGXKRRESA-N
XLogP2.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-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 (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24963630) is (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine is CCC(C[C@H]1COC(N)=N1)c1cccc(F)c1.
What is the InChIKey of (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is PYKKVOQNJFGGGD-ACGXKRRESA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-9(7-12-8-17-13(15)16-12)10-4-3-5-11(14)6-10/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9?,12-/m0/s1.
What are the key properties of (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(3-fluorophenyl)butyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).