(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

C25H30ClN5O4 — CID 90414415

IUPAC(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1nc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)OC(C)(C)C)n2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O4/c1-14-21(17-7-9-18(26)10-8-17)34-22(28-14)15(2)29-23-27-12-11-20(30-23)31-19(13-33-24(31)32)16(3)35-25(4,5)6/h7-12,15-16,19H,13H2,1-6H3,(H,27,29,30)/t15?,16-,19-/m1/s1
InChIKeyARZVPTRNEBWSAE-HFLHWUEFSA-N
MW500.00 g/mol
LogP5.80
Rot. Bonds7

About (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one

(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 90414415) has the molecular formula C25H30ClN5O4 and a molecular weight of 500.00 g/mol. Its IUPAC name is (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
PubChem CID90414415
Molecular FormulaC25H30ClN5O4
Molecular Weight500.00 g/mol
Exact Mass499.20
IUPAC Name(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
SMILESCc1nc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)OC(C)(C)C)n2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O4/c1-14-21(17-7-9-18(26)10-8-17)34-22(28-14)15(2)29-23-27-12-11-20(30-23)31-19(13-33-24(31)32)16(3)35-25(4,5)6/h7-12,15-16,19H,13H2,1-6H3,(H,27,29,30)/t15?,16-,19-/m1/s1
InChIKeyARZVPTRNEBWSAE-HFLHWUEFSA-N
XLogP5.80
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one (CID 90414415) is (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is Cc1nc(C(C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)OC(C)(C)C)n2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is ARZVPTRNEBWSAE-HFLHWUEFSA-N. The full InChI is InChI=1S/C25H30ClN5O4/c1-14-21(17-7-9-18(26)10-8-17)34-22(28-14)15(2)29-23-27-12-11-20(30-23)31-19(13-33-24(31)32)16(3)35-25(4,5)6/h7-12,15-16,19H,13H2,1-6H3,(H,27,29,30)/t15?,16-,19-/m1/s1.
What are the key properties of (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one?
(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 500.00 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90414415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).