(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C19H28N2O2 — CID 44591685

IUPAC(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H28N2O2/c1-15-12-21(19(22)23-15)14-17-10-8-16(9-11-17)13-20(2)18-6-4-3-5-7-18/h8-11,15,18H,3-7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyQWIVGAUUAQPHOA-OAHLLOKOSA-N
MW316.44 g/mol
LogP3.79
Rot. Bonds5

About (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591685) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591685
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H28N2O2/c1-15-12-21(19(22)23-15)14-17-10-8-16(9-11-17)13-20(2)18-6-4-3-5-7-18/h8-11,15,18H,3-7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyQWIVGAUUAQPHOA-OAHLLOKOSA-N
XLogP3.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591685) is (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(CN(C)C3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QWIVGAUUAQPHOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-12-21(19(22)23-15)14-17-10-8-16(9-11-17)13-20(2)18-6-4-3-5-7-18/h8-11,15,18H,3-7,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).