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

C18H25NO3 — CID 25173286

IUPAC3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(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
InChIKeyXKPPGLFHMVJURM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.99
Rot. Bonds5

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

3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25173286) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25173286
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(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
InChIKeyXKPPGLFHMVJURM-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25173286) is 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(OCC3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is XKPPGLFHMVJURM-UHFFFAOYSA-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.
What are the key properties of 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
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 3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25173286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).