N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide

C28H28F6N2O4 — CID 89052312

IUPACN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1
InChIInChI=1S/C28H28F6N2O4/c1-15-25(18-10-19(27(29,30)31)12-20(11-18)28(32,33)34)40-26(38)36(15)14-17-6-4-5-7-22(17)23-13-21(35-16(2)37)8-9-24(23)39-3/h8-13,15,25H,4-7,14H2,1-3H3,(H,35,37)/t15-,25-/m0/s1
InChIKeyQZXJGCPTVAXTPY-MQNRADLISA-N
MW570.53 g/mol
LogP7.60
Rot. Bonds6

About N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide

N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide (PubChem CID 89052312) has the molecular formula C28H28F6N2O4 and a molecular weight of 570.53 g/mol. Its IUPAC name is N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide
PubChem CID89052312
Molecular FormulaC28H28F6N2O4
Molecular Weight570.53 g/mol
Exact Mass570.20
IUPAC NameN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1
InChIInChI=1S/C28H28F6N2O4/c1-15-25(18-10-19(27(29,30)31)12-20(11-18)28(32,33)34)40-26(38)36(15)14-17-6-4-5-7-22(17)23-13-21(35-16(2)37)8-9-24(23)39-3/h8-13,15,25H,4-7,14H2,1-3H3,(H,35,37)/t15-,25-/m0/s1
InChIKeyQZXJGCPTVAXTPY-MQNRADLISA-N
XLogP7.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.53
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide 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 N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide (CID 89052312) is N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CCCC1.
What is the InChIKey of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide?
The InChIKey is QZXJGCPTVAXTPY-MQNRADLISA-N. The full InChI is InChI=1S/C28H28F6N2O4/c1-15-25(18-10-19(27(29,30)31)12-20(11-18)28(32,33)34)40-26(38)36(15)14-17-6-4-5-7-22(17)23-13-21(35-16(2)37)8-9-24(23)39-3/h8-13,15,25H,4-7,14H2,1-3H3,(H,35,37)/t15-,25-/m0/s1.
What are the key properties of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide?
N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide has a molecular weight of 570.53 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 89052312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).