(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

C26H32N4O3 — CID 127054006

IUPAC(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(C3CC(c4ncccn4)CNC3=O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H32N4O3/c1-26(2)22(18-7-4-3-5-8-18)30(25(32)33-26)20-11-9-17(10-12-20)21-15-19(16-29-24(21)31)23-27-13-6-14-28-23/h3-8,13-14,17,19-22H,9-12,15-16H2,1-2H3,(H,29,31)/t17?,19?,20?,21?,22-/m1/s1
InChIKeyJEHUGZQXGFTWTB-QCAWOLQUSA-N
MW448.57 g/mol
LogP4.23
Rot. Bonds4

About (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 127054006) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID127054006
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(C3CC(c4ncccn4)CNC3=O)CC2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H32N4O3/c1-26(2)22(18-7-4-3-5-8-18)30(25(32)33-26)20-11-9-17(10-12-20)21-15-19(16-29-24(21)31)23-27-13-6-14-28-23/h3-8,13-14,17,19-22H,9-12,15-16H2,1-2H3,(H,29,31)/t17?,19?,20?,21?,22-/m1/s1
InChIKeyJEHUGZQXGFTWTB-QCAWOLQUSA-N
XLogP4.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 127054006) is (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(C3CC(c4ncccn4)CNC3=O)CC2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JEHUGZQXGFTWTB-QCAWOLQUSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-26(2)22(18-7-4-3-5-8-18)30(25(32)33-26)20-11-9-17(10-12-20)21-15-19(16-29-24(21)31)23-27-13-6-14-28-23/h3-8,13-14,17,19-22H,9-12,15-16H2,1-2H3,(H,29,31)/t17?,19?,20?,21?,22-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 448.57 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-ylpiperidin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 127054006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).