5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

C24H19NO3S — CID 123474642

About 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 123474642) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
• PubChem CID: 123474642
• Molecular Formula: C24H19NO3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.11
• IUPAC Name: 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
• SMILES: O=c1cc(-c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)s[nH]1
• InChI: InChI=1S/C24H19NO3S/c26-24-15-23(29-25-24)16-9-11-18(12-10-16)28-22-14-13-20-19(22)7-4-8-21(20)27-17-5-2-1-3-6-17/h1-12,15,22H,13-14H2,(H,25,26)/t22-/m1/s1
• InChIKey: MNHXQEWAHPFJBB-JOCHJYFZSA-N
• XLogP: 5.96
• TPSA: 51.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The IUPAC name of 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 123474642) is 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is O=c1cc(-c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)s[nH]1.

What is the InChIKey of 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

The InChIKey is MNHXQEWAHPFJBB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19NO3S/c26-24-15-23(29-25-24)16-9-11-18(12-10-16)28-22-14-13-20-19(22)7-4-8-21(20)27-17-5-2-1-3-6-17/h1-12,15,22H,13-14H2,(H,25,26)/t22-/m1/s1.

What are the key properties of 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?

5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 401.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 123474642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).