(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

C20H21F5N4O4 — CID 90452009

IUPAC(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)nc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)n1
InChIInChI=1S/C20H21F5N4O4/c1-9-4-17(29-15(11(3)30)7-32-19(29)31)28-18(26-9)27-10(2)12-5-14(22)16(6-13(12)21)33-8-20(23,24)25/h4-6,10-11,15,30H,7-8H2,1-3H3,(H,26,27,28)/t10-,11+,15+/m0/s1
InChIKeyHLWUMVHBOXMUDW-FIXISWKDSA-N
MW476.40 g/mol
LogP3.88
Rot. Bonds7

About (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (PubChem CID 90452009) has the molecular formula C20H21F5N4O4 and a molecular weight of 476.40 g/mol. Its IUPAC name is (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
PubChem CID90452009
Molecular FormulaC20H21F5N4O4
Molecular Weight476.40 g/mol
Exact Mass476.15
IUPAC Name(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)nc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)n1
InChIInChI=1S/C20H21F5N4O4/c1-9-4-17(29-15(11(3)30)7-32-19(29)31)28-18(26-9)27-10(2)12-5-14(22)16(6-13(12)21)33-8-20(23,24)25/h4-6,10-11,15,30H,7-8H2,1-3H3,(H,26,27,28)/t10-,11+,15+/m0/s1
InChIKeyHLWUMVHBOXMUDW-FIXISWKDSA-N
XLogP3.88
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one 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

(4R)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451991
(4R)-3-[2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90454410
(4R)-3-[2-[[(1S)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90454335
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(4-methylimidazol-1-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454356
3-[2-[[(1S)-1-(2-fluoro-4-propan-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479054
(4R)-4-[(1R)-1-hydroxyethyl]-3-[2-[1-[5-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90451953
3-[6-chloro-2-[[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90417339
(4R)-3-[2-[[(1S)-1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90451830
(4R)-3-[2-[[(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90416053
(4R)-3-[6-methyl-2-[[(1S)-1-[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90451838
(4S)-3-[5-fluoro-2-[[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71542188
4-propan-2-yl-3-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123835719

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one (CID 90452009) is (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)nc(N[C@@H](C)c2cc(F)c(OCC(F)(F)F)cc2F)n1.
What is the InChIKey of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is HLWUMVHBOXMUDW-FIXISWKDSA-N. The full InChI is InChI=1S/C20H21F5N4O4/c1-9-4-17(29-15(11(3)30)7-32-19(29)31)28-18(26-9)27-10(2)12-5-14(22)16(6-13(12)21)33-8-20(23,24)25/h4-6,10-11,15,30H,7-8H2,1-3H3,(H,26,27,28)/t10-,11+,15+/m0/s1.
What are the key properties of (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 476.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[(1S)-1-[2,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90452009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).