(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one

C20H19ClF2N6O3 — CID 90454326

IUPAC(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)C(F)F)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClF2N6O3/c1-10(16(22)23)14-9-31-20(30)29(14)15-7-8-24-19(26-15)25-11(2)18-27-17(28-32-18)12-3-5-13(21)6-4-12/h3-8,10-11,14,16H,9H2,1-2H3,(H,24,25,26)/t10-,11?,14-/m1/s1
InChIKeyNOOITAIFTJACTE-VBCZDQSUSA-N
MW464.86 g/mol
LogP4.58
Rot. Bonds7

About (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one

(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 90454326) has the molecular formula C20H19ClF2N6O3 and a molecular weight of 464.86 g/mol. Its IUPAC name is (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one
PubChem CID90454326
Molecular FormulaC20H19ClF2N6O3
Molecular Weight464.86 g/mol
Exact Mass464.12
IUPAC Name(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)C(F)F)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H19ClF2N6O3/c1-10(16(22)23)14-9-31-20(30)29(14)15-7-8-24-19(26-15)25-11(2)18-27-17(28-32-18)12-3-5-13(21)6-4-12/h3-8,10-11,14,16H,9H2,1-2H3,(H,24,25,26)/t10-,11?,14-/m1/s1
InChIKeyNOOITAIFTJACTE-VBCZDQSUSA-N
XLogP4.58
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.86
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one (CID 90454326) is (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)C(F)F)n1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is NOOITAIFTJACTE-VBCZDQSUSA-N. The full InChI is InChI=1S/C20H19ClF2N6O3/c1-10(16(22)23)14-9-31-20(30)29(14)15-7-8-24-19(26-15)25-11(2)18-27-17(28-32-18)12-3-5-13(21)6-4-12/h3-8,10-11,14,16H,9H2,1-2H3,(H,24,25,26)/t10-,11?,14-/m1/s1.
What are the key properties of (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 464.86 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(2R)-1,1-difluoropropan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90454326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).