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

C13H17FN2O2 — CID 67228623

IUPAC(4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)OC(c1ccc(F)cc1)[C@@H]1COC(N)=N1
InChIInChI=1S/C13H17FN2O2/c1-8(2)18-12(11-7-17-13(15)16-11)9-3-5-10(14)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H2,15,16)/t11-,12?/m0/s1
InChIKeyVLXYNDMESIKUSF-PXYINDEMSA-N
MW252.29 g/mol
LogP2.01
Rot. Bonds4

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

(4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67228623) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67228623
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)OC(c1ccc(F)cc1)[C@@H]1COC(N)=N1
InChIInChI=1S/C13H17FN2O2/c1-8(2)18-12(11-7-17-13(15)16-11)9-3-5-10(14)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H2,15,16)/t11-,12?/m0/s1
InChIKeyVLXYNDMESIKUSF-PXYINDEMSA-N
XLogP2.01
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-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-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67228623) is (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)OC(c1ccc(F)cc1)[C@@H]1COC(N)=N1.
What is the InChIKey of (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is VLXYNDMESIKUSF-PXYINDEMSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(2)18-12(11-7-17-13(15)16-11)9-3-5-10(14)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H2,15,16)/t11-,12?/m0/s1.
What are the key properties of (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 252.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-fluorophenyl)-propan-2-yloxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67228623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).