3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C34H42F3NO4 — CID 146316706

About 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 146316706) has the molecular formula C34H42F3NO4 and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 146316706
• Molecular Formula: C34H42F3NO4
• Molecular Weight: 585.71 g/mol
• Exact Mass: 585.31
• IUPAC Name: 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)C1N(C(=O)C(C)(F)[C@H](c2cccc(OCC3CCC(c4cc(F)ccc4F)CC3)c2)C2CC2)C(=O)OC1(C)C
• InChI: InChI=1S/C34H42F3NO4/c1-20(2)30-33(3,4)42-32(40)38(30)31(39)34(5,37)29(23-13-14-23)24-7-6-8-26(17-24)41-19-21-9-11-22(12-10-21)27-18-25(35)15-16-28(27)36/h6-8,15-18,20-23,29-30H,9-14,19H2,1-5H3/t21?,22?,29-,30?,34?/m0/s1
• InChIKey: XLDFSIPIBBMSDP-YCWAQMRTSA-N
• XLogP: 8.32
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.71
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 146316706) is 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1N(C(=O)C(C)(F)[C@H](c2cccc(OCC3CCC(c4cc(F)ccc4F)CC3)c2)C2CC2)C(=O)OC1(C)C.

What is the InChIKey of 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is XLDFSIPIBBMSDP-YCWAQMRTSA-N. The full InChI is InChI=1S/C34H42F3NO4/c1-20(2)30-33(3,4)42-32(40)38(30)31(39)34(5,37)29(23-13-14-23)24-7-6-8-26(17-24)41-19-21-9-11-22(12-10-21)27-18-25(35)15-16-28(27)36/h6-8,15-18,20-23,29-30H,9-14,19H2,1-5H3/t21?,22?,29-,30?,34?/m0/s1.

What are the key properties of 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?

3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 585.71 g/mol, XLogP of 8.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-3-cyclopropyl-3-[3-[[4-(2,5-difluorophenyl)cyclohexyl]methoxy]phenyl]-2-fluoro-2-methylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146316706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).