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

C18H25NO3 — CID 68813968

IUPAC(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO3/c1-14-11-19(18(20)22-14)12-15-7-9-17(10-8-15)21-13-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3/t14-/m1/s1
InChIKeyXKPPGLFHMVJURM-CQSZACIVSA-N
MW303.40 g/mol
LogP3.99
Rot. Bonds5

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

(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 68813968) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID68813968
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C18H25NO3/c1-14-11-19(18(20)22-14)12-15-7-9-17(10-8-15)21-13-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3/t14-/m1/s1
InChIKeyXKPPGLFHMVJURM-CQSZACIVSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 68813968) is (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is C[C@@H]1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XKPPGLFHMVJURM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-11-19(18(20)22-14)12-15-7-9-17(10-8-15)21-13-16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68813968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).