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

C19H27NO3 — CID 25173287

IUPAC3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H27NO3/c1-15-13-20(19(21)23-15)14-17-7-9-18(10-8-17)22-12-11-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyBBOKFBYMJJGGLL-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.38
Rot. Bonds6

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

3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25173287) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25173287
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C19H27NO3/c1-15-13-20(19(21)23-15)14-17-7-9-18(10-8-17)22-12-11-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyBBOKFBYMJJGGLL-UHFFFAOYSA-N
XLogP4.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25173287) is 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(OCCC3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is BBOKFBYMJJGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15-13-20(19(21)23-15)14-17-7-9-18(10-8-17)22-12-11-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3.
What are the key properties of 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25173287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).