methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate

C34H33F6N3O5 — CID 118600491

IUPACmethyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2CC2)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1
InChIInChI=1S/C34H33F6N3O5/c1-19-31(21-15-22(33(35,36)37)17-23(16-21)34(38,39)40)48-32(45)43(19)18-27-25(8-10-29(41-27)42-12-3-13-42)26-14-20(5-11-30(44)46-2)4-9-28(26)47-24-6-7-24/h4,8-10,14-17,19,24,31H,3,5-7,11-13,18H2,1-2H3/t19-,31-/m0/s1
InChIKeyMHCBSXNZGLGPBW-RQZFFVEVSA-N
MW677.64 g/mol
LogP7.73
Rot. Bonds10

About methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate (PubChem CID 118600491) has the molecular formula C34H33F6N3O5 and a molecular weight of 677.64 g/mol. Its IUPAC name is methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate
PubChem CID118600491
Molecular FormulaC34H33F6N3O5
Molecular Weight677.64 g/mol
Exact Mass677.23
IUPAC Namemethyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC2CC2)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1
InChIInChI=1S/C34H33F6N3O5/c1-19-31(21-15-22(33(35,36)37)17-23(16-21)34(38,39)40)48-32(45)43(19)18-27-25(8-10-29(41-27)42-12-3-13-42)26-14-20(5-11-30(44)46-2)4-9-28(26)47-24-6-7-24/h4,8-10,14-17,19,24,31H,3,5-7,11-13,18H2,1-2H3/t19-,31-/m0/s1
InChIKeyMHCBSXNZGLGPBW-RQZFFVEVSA-N
XLogP7.73
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.64
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

(4S,5R)-3-[[6-(azetidin-1-yl)-3-[5-(3-hydroxypropyl)-2-methoxyphenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 118600515
methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate
CID 118600351
3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 126691665
2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]acetonitrile;2,2,2-trifluoroacetic acid
CID 171932857
3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methylphenyl]propanoic acid
CID 118600368
(4S,5R)-3-[[6-(azetidin-1-yl)-3-(5-iodo-2-methoxyphenyl)-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 86704603
4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 118600379
ethyl 2-[6-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetate;methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-chlorophenyl]propanoate;trans-ethyl (1S,2S)-2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]cyclopropane-1-carboxylate
CID 159457631
3-[5-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-2-fluoro-4-methoxyphenyl]propanoic acid
CID 56971597
3-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-chloro-3-pyridinyl]-4-methoxyphenyl]propanoic acid
CID 131734393
2-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,3-dimethyl-2,3-dihydropyrrole-5-carboxylic acid
CID 126691625
methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-methylthiophene-2-carboxylate
CID 56970926

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate?
The IUPAC name of methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate (CID 118600491) is methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate?
The canonical SMILES for methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate is COC(=O)CCc1ccc(OC2CC2)c(-c2ccc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1.
What is the InChIKey of methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate?
The InChIKey is MHCBSXNZGLGPBW-RQZFFVEVSA-N. The full InChI is InChI=1S/C34H33F6N3O5/c1-19-31(21-15-22(33(35,36)37)17-23(16-21)34(38,39)40)48-32(45)43(19)18-27-25(8-10-29(41-27)42-12-3-13-42)26-14-20(5-11-30(44)46-2)4-9-28(26)47-24-6-7-24/h4,8-10,14-17,19,24,31H,3,5-7,11-13,18H2,1-2H3/t19-,31-/m0/s1.
What are the key properties of methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate?
methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate has a molecular weight of 677.64 g/mol, XLogP of 7.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-cyclopropyloxyphenyl]propanoate is sourced from PubChem (CID 118600491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).