1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one

C23H30N2O2 — CID 90364729

IUPAC1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one
SMILESCNc1ccc(CC(=O)CC[C@@H]2[C@@H](c3ccccc3)OC(C)(C)N2C)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2)25(4)21(22(27-23)18-8-6-5-7-9-18)15-14-20(26)16-17-10-12-19(24-3)13-11-17/h5-13,21-22,24H,14-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyQWMURAOFRSMSML-FGZHOGPDSA-N
MW366.51 g/mol
LogP4.43
Rot. Bonds7

About 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one

1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one (PubChem CID 90364729) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one
PubChem CID90364729
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one
SMILESCNc1ccc(CC(=O)CC[C@@H]2[C@@H](c3ccccc3)OC(C)(C)N2C)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2)25(4)21(22(27-23)18-8-6-5-7-9-18)15-14-20(26)16-17-10-12-19(24-3)13-11-17/h5-13,21-22,24H,14-16H2,1-4H3/t21-,22-/m1/s1
InChIKeyQWMURAOFRSMSML-FGZHOGPDSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one?
The IUPAC name of 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one (CID 90364729) is 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one.
What is the SMILES notation for 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one?
The canonical SMILES for 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one is CNc1ccc(CC(=O)CC[C@@H]2[C@@H](c3ccccc3)OC(C)(C)N2C)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one?
The InChIKey is QWMURAOFRSMSML-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2)25(4)21(22(27-23)18-8-6-5-7-9-18)15-14-20(26)16-17-10-12-19(24-3)13-11-17/h5-13,21-22,24H,14-16H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one?
1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one has a molecular weight of 366.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]-4-[(4R,5R)-2,2,3-trimethyl-5-phenyl-1,3-oxazolidin-4-yl]butan-2-one is sourced from PubChem (CID 90364729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).