5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one

C19H15F4NO4 — CID 162552800

About 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one

5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one (PubChem CID 162552800) has the molecular formula C19H15F4NO4 and a molecular weight of 397.32 g/mol. Its IUPAC name is 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one.

Molecular Properties

• Compound Name: 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one
• PubChem CID: 162552800
• Molecular Formula: C19H15F4NO4
• Molecular Weight: 397.32 g/mol
• Exact Mass: 397.09
• IUPAC Name: 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one
• SMILES: O=C1NC(O)OC1[C@@H]1CCc2cc(Oc3ccc(C(F)(F)F)cc3F)ccc21
• InChI: InChI=1S/C19H15F4NO4/c20-14-8-10(19(21,22)23)2-6-15(14)27-11-3-5-12-9(7-11)1-4-13(12)16-17(25)24-18(26)28-16/h2-3,5-8,13,16,18,26H,1,4H2,(H,24,25)/t13-,16?,18?/m1/s1
• InChIKey: VXLYIFNWGMBSRP-IMUUDWKMSA-N
• XLogP: 3.46
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.32
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one?

The IUPAC name of 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one (CID 162552800) is 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one.

What is the SMILES notation for 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one?

The canonical SMILES for 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one is O=C1NC(O)OC1[C@@H]1CCc2cc(Oc3ccc(C(F)(F)F)cc3F)ccc21.

What is the InChIKey of 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one?

The InChIKey is VXLYIFNWGMBSRP-IMUUDWKMSA-N. The full InChI is InChI=1S/C19H15F4NO4/c20-14-8-10(19(21,22)23)2-6-15(14)27-11-3-5-12-9(7-11)1-4-13(12)16-17(25)24-18(26)28-16/h2-3,5-8,13,16,18,26H,1,4H2,(H,24,25)/t13-,16?,18?/m1/s1.

What are the key properties of 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one?

5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one has a molecular weight of 397.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-1,3-oxazolidin-4-one is sourced from PubChem (CID 162552800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).