4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane

C33H32ClF9N2O5 — CID 145448146

IUPAC4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane
SMILESCC.COc1cc(Cl)c(OCCCC(N)=O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C31H26ClF9N2O5.C2H6/c1-15-27(16-8-19(30(36,37)38)11-20(9-16)31(39,40)41)48-28(45)43(15)14-17-10-18(29(33,34)35)5-6-21(17)22-12-25(23(32)13-24(22)46-2)47-7-3-4-26(42)44;1-2/h5-6,8-13,15,27H,3-4,7,14H2,1-2H3,(H2,42,44);1-2H3/t15-,27-;/m0./s1
InChIKeyNLIPIGXGFUIABX-HXUUESRGSA-N
MW743.06 g/mol
LogP9.82
Rot. Bonds10

About 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane

4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane (PubChem CID 145448146) has the molecular formula C33H32ClF9N2O5 and a molecular weight of 743.06 g/mol. Its IUPAC name is 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane.

Molecular Properties

Compound Name4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane
PubChem CID145448146
Molecular FormulaC33H32ClF9N2O5
Molecular Weight743.06 g/mol
Exact Mass742.19
IUPAC Name4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane
SMILESCC.COc1cc(Cl)c(OCCCC(N)=O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C31H26ClF9N2O5.C2H6/c1-15-27(16-8-19(30(36,37)38)11-20(9-16)31(39,40)41)48-28(45)43(15)14-17-10-18(29(33,34)35)5-6-21(17)22-12-25(23(32)13-24(22)46-2)47-7-3-4-26(42)44;1-2/h5-6,8-13,15,27H,3-4,7,14H2,1-2H3,(H2,42,44);1-2H3/t15-,27-;/m0./s1
InChIKeyNLIPIGXGFUIABX-HXUUESRGSA-N
XLogP9.82
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.06
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane?
The IUPAC name of 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane (CID 145448146) is 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane.
What is the SMILES notation for 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane?
The canonical SMILES for 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane is CC.COc1cc(Cl)c(OCCCC(N)=O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane?
The InChIKey is NLIPIGXGFUIABX-HXUUESRGSA-N. The full InChI is InChI=1S/C31H26ClF9N2O5.C2H6/c1-15-27(16-8-19(30(36,37)38)11-20(9-16)31(39,40)41)48-28(45)43(15)14-17-10-18(29(33,34)35)5-6-21(17)22-12-25(23(32)13-24(22)46-2)47-7-3-4-26(42)44;1-2/h5-6,8-13,15,27H,3-4,7,14H2,1-2H3,(H2,42,44);1-2H3/t15-,27-;/m0./s1.
What are the key properties of 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane?
4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane has a molecular weight of 743.06 g/mol, XLogP of 9.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-2-chloro-4-methoxyphenoxy]butanamide;ethane is sourced from PubChem (CID 145448146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).