4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid

C35H27F6N5O5 — CID 88581479

IUPAC4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C35H27F6N5O5/c1-18-10-21(31(47)48)4-6-25(18)20-5-7-29(50-3)26(13-20)27-15-43-32(45-9-8-42-17-45)44-28(27)16-46-19(2)30(51-33(46)49)22-11-23(34(36,37)38)14-24(12-22)35(39,40)41/h4-15,17,19,30H,16H2,1-3H3,(H,47,48)/t19-,30-/m0/s1
InChIKeyDHMWTIORGQZCCG-ADSBAMQRSA-N
MW711.62 g/mol
LogP8.13
Rot. Bonds8

About 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid

4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid (PubChem CID 88581479) has the molecular formula C35H27F6N5O5 and a molecular weight of 711.62 g/mol. Its IUPAC name is 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid
PubChem CID88581479
Molecular FormulaC35H27F6N5O5
Molecular Weight711.62 g/mol
Exact Mass711.19
IUPAC Name4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C35H27F6N5O5/c1-18-10-21(31(47)48)4-6-25(18)20-5-7-29(50-3)26(13-20)27-15-43-32(45-9-8-42-17-45)44-28(27)16-46-19(2)30(51-33(46)49)22-11-23(34(36,37)38)14-24(12-22)35(39,40)41/h4-15,17,19,30H,16H2,1-3H3,(H,47,48)/t19-,30-/m0/s1
InChIKeyDHMWTIORGQZCCG-ADSBAMQRSA-N
XLogP8.13
TPSA119.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.62
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid 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-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid?
The IUPAC name of 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid (CID 88581479) is 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(-n2ccnc2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid?
The InChIKey is DHMWTIORGQZCCG-ADSBAMQRSA-N. The full InChI is InChI=1S/C35H27F6N5O5/c1-18-10-21(31(47)48)4-6-25(18)20-5-7-29(50-3)26(13-20)27-15-43-32(45-9-8-42-17-45)44-28(27)16-46-19(2)30(51-33(46)49)22-11-23(34(36,37)38)14-24(12-22)35(39,40)41/h4-15,17,19,30H,16H2,1-3H3,(H,47,48)/t19-,30-/m0/s1.
What are the key properties of 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid?
4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid has a molecular weight of 711.62 g/mol, XLogP of 8.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-imidazol-1-ylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid is sourced from PubChem (CID 88581479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).