(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole

C11H13NO — CID 102475498

IUPAC(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyPXYFQHHKPOSAHF-SNVBAGLBSA-N
MW175.23 g/mol
LogP2.57
Rot. Bonds2

About (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 102475498) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID102475498
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyPXYFQHHKPOSAHF-SNVBAGLBSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole 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)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole (CID 102475498) is (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is PXYFQHHKPOSAHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102475498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).