(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide

C24H25F3N4O3 — CID 126611039

IUPAC(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1O[C@H](COc2ccc(NC(=O)[C@@H]3CCCN3)cc2)CN1c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3/c1-15-31(18-7-4-16(12-28)21(11-18)24(25,26)27)13-20(34-15)14-33-19-8-5-17(6-9-19)30-23(32)22-3-2-10-29-22/h4-9,11,15,20,22,29H,2-3,10,13-14H2,1H3,(H,30,32)/t15-,20+,22+/m1/s1
InChIKeyNNMKTOYAXOTBKI-PDXHDDNESA-N
MW474.48 g/mol
LogP3.90
Rot. Bonds6

About (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 126611039) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID126611039
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESC[C@H]1O[C@H](COc2ccc(NC(=O)[C@@H]3CCCN3)cc2)CN1c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O3/c1-15-31(18-7-4-16(12-28)21(11-18)24(25,26)27)13-20(34-15)14-33-19-8-5-17(6-9-19)30-23(32)22-3-2-10-29-22/h4-9,11,15,20,22,29H,2-3,10,13-14H2,1H3,(H,30,32)/t15-,20+,22+/m1/s1
InChIKeyNNMKTOYAXOTBKI-PDXHDDNESA-N
XLogP3.90
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[(2S,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]acetamide
CID 126611020
(2R,5S)-N-(4-aminophenyl)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidine-5-carboxamide
CID 126611073
tert-butyl (2S)-2-[[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126600211
phenyl N-[4-[[3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]carbamate
CID 140774850
[2-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]anilino]-2-oxoethyl]carbamic acid
CID 126600262
4-[(2R,5S)-2-methyl-5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126611009
2-amino-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]-2,2-difluoroacetamide;2-fluoroacetic acid
CID 126613766
N-[2-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]-5-isocyanophenyl]acetamide
CID 149183793
4-[(2R,5R)-5-ethyl-2-methyl-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126610996
4-[(2R,5R)-5-[(4-cyanophenoxy)methyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126600419
[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]phenyl]methylcarbamic acid
CID 126600638
4-[5-[(4-methoxyphenoxy)methyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile
CID 126600381

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide (CID 126611039) is (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide is C[C@H]1O[C@H](COc2ccc(NC(=O)[C@@H]3CCCN3)cc2)CN1c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NNMKTOYAXOTBKI-PDXHDDNESA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15-31(18-7-4-16(12-28)21(11-18)24(25,26)27)13-20(34-15)14-33-19-8-5-17(6-9-19)30-23(32)22-3-2-10-29-22/h4-9,11,15,20,22,29H,2-3,10,13-14H2,1H3,(H,30,32)/t15-,20+,22+/m1/s1.
What are the key properties of (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126611039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).