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

C24H28N2O2S — CID 101496732

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

(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101496732) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 101496732
• Molecular Formula: C24H28N2O2S
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.19
• IUPAC Name: (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)[C@H]1COC(c2ccccc2Sc2ccccc2C2=N[C@@H](C(C)C)CO2)=N1
• InChI: InChI=1S/C24H28N2O2S/c1-15(2)19-13-27-23(25-19)17-9-5-7-11-21(17)29-22-12-8-6-10-18(22)24-26-20(14-28-24)16(3)4/h5-12,15-16,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1
• InChIKey: CFQZOZRLKCTXOB-WOJBJXKFSA-N
• XLogP: 5.44
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole (CID 101496732) is (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2ccccc2Sc2ccccc2C2=N[C@@H](C(C)C)CO2)=N1.

What is the InChIKey of (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole?

The InChIKey is CFQZOZRLKCTXOB-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-15(2)19-13-27-23(25-19)17-9-5-7-11-21(17)29-22-12-8-6-10-18(22)24-26-20(14-28-24)16(3)4/h5-12,15-16,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1.

What are the key properties of (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole?

(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 408.57 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101496732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).