(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

C22H24ClF2N3O2 — CID 160754811

IUPAC(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1nc(Cl)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(C(C)(C)F)cc1F
InChIInChI=1S/C22H24ClF2N3O2/c1-12(15-7-6-14(9-16(15)24)22(2,3)25)8-19-26-18(23)10-20(27-19)28-17(13-4-5-13)11-30-21(28)29/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3/t12-,17-/m1/s1
InChIKeyRXHFBIGTEWWPCG-SJKOYZFVSA-N
MW435.90 g/mol
LogP5.56
Rot. Bonds6

About (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one

(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (PubChem CID 160754811) has the molecular formula C22H24ClF2N3O2 and a molecular weight of 435.90 g/mol. Its IUPAC name is (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
PubChem CID160754811
Molecular FormulaC22H24ClF2N3O2
Molecular Weight435.90 g/mol
Exact Mass435.15
IUPAC Name(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1nc(Cl)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(C(C)(C)F)cc1F
InChIInChI=1S/C22H24ClF2N3O2/c1-12(15-7-6-14(9-16(15)24)22(2,3)25)8-19-26-18(23)10-20(27-19)28-17(13-4-5-13)11-30-21(28)29/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3/t12-,17-/m1/s1
InChIKeyRXHFBIGTEWWPCG-SJKOYZFVSA-N
XLogP5.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.90
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[6-chloro-2-[[(1S)-1-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118900519
3-[6-chloro-2-[[(1S)-1-[1-(4-fluorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384663
3-[2-[[(1R)-1-[1-(4-chlorophenyl)triazol-4-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 130384671
(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-[(2R)-2-[4-(difluoromethyl)-2-fluorophenyl]propyl]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 149124074
(4S)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118894440
(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
(4R)-3-[6-chloro-2-[(1S)-1-[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451971
(4R)-3-[2-[(2R)-2-[4-(difluoromethoxy)-3-fluorophenyl]propyl]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 148525945
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
(4S)-3-[2-[[(1S)-1-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118873898
(4S)-4-cyclopropyl-3-[2-[[(1S)-1-[4-[[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90422750

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one (CID 160754811) is (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is C[C@H](Cc1nc(Cl)cc(N2C(=O)OC[C@@H]2C2CC2)n1)c1ccc(C(C)(C)F)cc1F.
What is the InChIKey of (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
The InChIKey is RXHFBIGTEWWPCG-SJKOYZFVSA-N. The full InChI is InChI=1S/C22H24ClF2N3O2/c1-12(15-7-6-14(9-16(15)24)22(2,3)25)8-19-26-18(23)10-20(27-19)28-17(13-4-5-13)11-30-21(28)29/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3/t12-,17-/m1/s1.
What are the key properties of (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one?
(4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one has a molecular weight of 435.90 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-chloro-2-[(2R)-2-[2-fluoro-4-(2-fluoropropan-2-yl)phenyl]propyl]pyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 160754811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).