(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

C21H19F4N5O2 — CID 152823681

IUPAC(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cn(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C21H19F4N5O2/c1-11(17-8-29(10-27-17)15-5-13(23)4-14(24)6-15)3-19-26-7-16(25)20(28-19)30-18(12(2)22)9-32-21(30)31/h4-8,10-12,18H,3,9H2,1-2H3/t11-,12+,18-/m1/s1
InChIKeySUKBFOIIIJZQKO-FTLABTOESA-N
MW449.41 g/mol
LogP4.11
Rot. Bonds6

About (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (PubChem CID 152823681) has the molecular formula C21H19F4N5O2 and a molecular weight of 449.41 g/mol. Its IUPAC name is (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
PubChem CID152823681
Molecular FormulaC21H19F4N5O2
Molecular Weight449.41 g/mol
Exact Mass449.15
IUPAC Name(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cn(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C21H19F4N5O2/c1-11(17-8-29(10-27-17)15-5-13(23)4-14(24)6-15)3-19-26-7-16(25)20(28-19)30-18(12(2)22)9-32-21(30)31/h4-8,10-12,18H,3,9H2,1-2H3/t11-,12+,18-/m1/s1
InChIKeySUKBFOIIIJZQKO-FTLABTOESA-N
XLogP4.11
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[2-[(2R)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 147389993
(4R)-3-[2-[(2R)-2-[4-(difluoromethyl)-2-fluorophenyl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 149124074
(4R)-3-[5-fluoro-2-[(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 159207635
(4S)-3-[5-fluoro-2-[(2R)-2-[3-[(3S)-oxolan-3-yl]oxyphenyl]propyl]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159765243
3-[2-[[(1S)-1-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 90415024
(4R)-3-[2-[(2R)-2-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]propyl]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 158977159
(4R)-3-[2-[[(1S)-1-[1-[4-(difluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 90454349
4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 166708338
4-(1,1-difluoropropan-2-yl)-3-[2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414511
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[3-fluoro-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90452104
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90414618
(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxypropyl]-1,3-oxazolidin-2-one
CID 134274480

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one (CID 152823681) is (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is C[C@H](Cc1ncc(F)c(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cn(-c2cc(F)cc(F)c2)cn1.
What is the InChIKey of (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
The InChIKey is SUKBFOIIIJZQKO-FTLABTOESA-N. The full InChI is InChI=1S/C21H19F4N5O2/c1-11(17-8-29(10-27-17)15-5-13(23)4-14(24)6-15)3-19-26-7-16(25)20(28-19)30-18(12(2)22)9-32-21(30)31/h4-8,10-12,18H,3,9H2,1-2H3/t11-,12+,18-/m1/s1.
What are the key properties of (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one has a molecular weight of 449.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[(2R)-2-[1-(3,5-difluorophenyl)imidazol-4-yl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 152823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).