(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole

C15H21NO2S — CID 11097908

IUPAC(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=N[C@@H](C(C)(C)C)CO2)cc1
InChIInChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19(17)10-14-16-13(9-18-14)15(2,3)4/h5-8,13H,9-10H2,1-4H3/t13-,19-/m1/s1
InChIKeyVYFQDTFWWGGEFZ-BFUOFWGJSA-N
MW279.40 g/mol
LogP2.95
Rot. Bonds3

About (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11097908) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID11097908
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc([S@](=O)CC2=N[C@@H](C(C)(C)C)CO2)cc1
InChIInChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19(17)10-14-16-13(9-18-14)15(2,3)4/h5-8,13H,9-10H2,1-4H3/t13-,19-/m1/s1
InChIKeyVYFQDTFWWGGEFZ-BFUOFWGJSA-N
XLogP2.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-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)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole (CID 11097908) is (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole is Cc1ccc([S@](=O)CC2=N[C@@H](C(C)(C)C)CO2)cc1.
What is the InChIKey of (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VYFQDTFWWGGEFZ-BFUOFWGJSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19(17)10-14-16-13(9-18-14)15(2,3)4/h5-8,13H,9-10H2,1-4H3/t13-,19-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 279.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11097908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).