(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole

C19H21NO3S — CID 134907385

IUPAC(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2CCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-10-12-17(13-11-15)24(21,22)19-18(23-14-20-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14,18-19H,5,8-9H2,1H3/t18-,19-/m0/s1
InChIKeyJCGQFHLUKAUORD-OALUTQOASA-N
MW343.45 g/mol
LogP3.54
Rot. Bonds6

About (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole

(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134907385) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID134907385
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2CCCc2ccccc2)cc1
InChIInChI=1S/C19H21NO3S/c1-15-10-12-17(13-11-15)24(21,22)19-18(23-14-20-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14,18-19H,5,8-9H2,1H3/t18-,19-/m0/s1
InChIKeyJCGQFHLUKAUORD-OALUTQOASA-N
XLogP3.54
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-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-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole (CID 134907385) is (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2CCCc2ccccc2)cc1.
What is the InChIKey of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JCGQFHLUKAUORD-OALUTQOASA-N. The full InChI is InChI=1S/C19H21NO3S/c1-15-10-12-17(13-11-15)24(21,22)19-18(23-14-20-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14,18-19H,5,8-9H2,1H3/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 343.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-(3-phenylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134907385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).