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

C32H28N2O4S — CID 10414821

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

5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 10414821) has the molecular formula C32H28N2O4S and a molecular weight of 536.65 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
• PubChem CID: 10414821
• Molecular Formula: C32H28N2O4S
• Molecular Weight: 536.65 g/mol
• Exact Mass: 536.18
• IUPAC Name: 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole
• SMILES: COc1ccc(C2CC(c3ccc(Sc4ccc(C5=NOC(c6ccc(OC)cc6)C5)cc4)cc3)=NO2)cc1
• InChI: InChI=1S/C32H28N2O4S/c1-35-25-11-3-23(4-12-25)31-19-29(33-37-31)21-7-15-27(16-8-21)39-28-17-9-22(10-18-28)30-20-32(38-34-30)24-5-13-26(36-2)14-6-24/h3-18,31-32H,19-20H2,1-2H3
• InChIKey: PNCDUHZAOSDQGC-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 61.64 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.65
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole (CID 10414821) is 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole.

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

The canonical SMILES for 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3ccc(Sc4ccc(C5=NOC(c6ccc(OC)cc6)C5)cc4)cc3)=NO2)cc1.

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

The InChIKey is PNCDUHZAOSDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O4S/c1-35-25-11-3-23(4-12-25)31-19-29(33-37-31)21-7-15-27(16-8-21)39-28-17-9-22(10-18-28)30-20-32(38-34-30)24-5-13-26(36-2)14-6-24/h3-18,31-32H,19-20H2,1-2H3.

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

5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 536.65 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-3-[4-[4-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10414821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).