(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole

C19H19NOS — CID 134971788

IUPAC(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(SC/C=C/c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H19NOS/c1-15-18(17-12-6-3-7-13-17)21-19(20-15)22-14-8-11-16-9-4-2-5-10-16/h2-13,15,18H,14H2,1H3/b11-8+/t15-,18+/m0/s1
InChIKeyDSTRCZSWQCMLGA-AUZXAYBBSA-N
MW309.43 g/mol
LogP4.95
Rot. Bonds4

About (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole

(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 134971788) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID134971788
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole
SMILESC[C@@H]1N=C(SC/C=C/c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C19H19NOS/c1-15-18(17-12-6-3-7-13-17)21-19(20-15)22-14-8-11-16-9-4-2-5-10-16/h2-13,15,18H,14H2,1H3/b11-8+/t15-,18+/m0/s1
InChIKeyDSTRCZSWQCMLGA-AUZXAYBBSA-N
XLogP4.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-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,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole (CID 134971788) is (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole is C[C@@H]1N=C(SC/C=C/c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DSTRCZSWQCMLGA-AUZXAYBBSA-N. The full InChI is InChI=1S/C19H19NOS/c1-15-18(17-12-6-3-7-13-17)21-19(20-15)22-14-8-11-16-9-4-2-5-10-16/h2-13,15,18H,14H2,1H3/b11-8+/t15-,18+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 309.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134971788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).