phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone

C13H15NO2 — CID 71354584

IUPACphenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
SMILESCC(C)[C@H]1COC(C(=O)c2ccccc2)=N1
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyZIVJAWSVBAWZDC-LLVKDONJSA-N
MW217.27 g/mol
LogP2.32
Rot. Bonds3

About phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone

phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone (PubChem CID 71354584) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
PubChem CID71354584
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namephenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone
SMILESCC(C)[C@H]1COC(C(=O)c2ccccc2)=N1
InChIInChI=1S/C13H15NO2/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyZIVJAWSVBAWZDC-LLVKDONJSA-N
XLogP2.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone 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 phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone?
The IUPAC name of phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone (CID 71354584) is phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone.
What is the SMILES notation for phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone?
The canonical SMILES for phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone is CC(C)[C@H]1COC(C(=O)c2ccccc2)=N1.
What is the InChIKey of phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone?
The InChIKey is ZIVJAWSVBAWZDC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)11-8-16-13(14-11)12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone?
phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone has a molecular weight of 217.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methanone is sourced from PubChem (CID 71354584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).