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

C34H43F2NO5 — CID 146351184

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

3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 146351184) has the molecular formula C34H43F2NO5 and a molecular weight of 583.72 g/mol. Its IUPAC name is 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 146351184
• Molecular Formula: C34H43F2NO5
• Molecular Weight: 583.72 g/mol
• Exact Mass: 583.31
• IUPAC Name: 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: COc1ccc(F)c(C2CCC(COc3cccc(C(C4CC4)C(F)C(=O)N4C(=O)OC(C)(C)C4C(C)C)c3)CC2)c1
• InChI: InChI=1S/C34H43F2NO5/c1-20(2)31-34(3,4)42-33(39)37(31)32(38)30(36)29(23-13-14-23)24-7-6-8-26(17-24)41-19-21-9-11-22(12-10-21)27-18-25(40-5)15-16-28(27)35/h6-8,15-18,20-23,29-31H,9-14,19H2,1-5H3
• InChIKey: MVUKTJBADDKLQT-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.72
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 146351184) is 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc(F)c(C2CCC(COc3cccc(C(C4CC4)C(F)C(=O)N4C(=O)OC(C)(C)C4C(C)C)c3)CC2)c1.

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

The InChIKey is MVUKTJBADDKLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43F2NO5/c1-20(2)31-34(3,4)42-33(39)37(31)32(38)30(36)29(23-13-14-23)24-7-6-8-26(17-24)41-19-21-9-11-22(12-10-21)27-18-25(40-5)15-16-28(27)35/h6-8,15-18,20-23,29-31H,9-14,19H2,1-5H3.

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

3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 583.72 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146351184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).