(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C26H34N6O4 — CID 90415538

IUPAC(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(-c2noc(C(C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)OC(C)(C)C)n3)n2)cc1
InChIInChI=1S/C26H34N6O4/c1-15(2)18-8-10-19(11-9-18)22-30-23(36-31-22)16(3)28-24-27-13-12-21(29-24)32-20(14-34-25(32)33)17(4)35-26(5,6)7/h8-13,15-17,20H,14H2,1-7H3,(H,27,28,29)/t16?,17-,20-/m1/s1
InChIKeyYJPDOSRZMMIZGK-HMEKMZBJSA-N
MW494.60 g/mol
LogP5.35
Rot. Bonds8

About (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90415538) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90415538
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(-c2noc(C(C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)OC(C)(C)C)n3)n2)cc1
InChIInChI=1S/C26H34N6O4/c1-15(2)18-8-10-19(11-9-18)22-30-23(36-31-22)16(3)28-24-27-13-12-21(29-24)32-20(14-34-25(32)33)17(4)35-26(5,6)7/h8-13,15-17,20H,14H2,1-7H3,(H,27,28,29)/t16?,17-,20-/m1/s1
InChIKeyYJPDOSRZMMIZGK-HMEKMZBJSA-N
XLogP5.35
TPSA115.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90415538) is (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)c1ccc(-c2noc(C(C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)OC(C)(C)C)n3)n2)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YJPDOSRZMMIZGK-HMEKMZBJSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-15(2)18-8-10-19(11-9-18)22-30-23(36-31-22)16(3)28-24-27-13-12-21(29-24)32-20(14-34-25(32)33)17(4)35-26(5,6)7/h8-13,15-17,20H,14H2,1-7H3,(H,27,28,29)/t16?,17-,20-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 494.60 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3-[2-[1-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90415538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).