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

C17H23NO3 — CID 25173617

IUPAC3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C17H23NO3/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeyUOSWBJFZJZMDQY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.74
Rot. Bonds4

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

3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 25173617) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID25173617
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1
InChIInChI=1S/C17H23NO3/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeyUOSWBJFZJZMDQY-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one (CID 25173617) is 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1.
What is the InChIKey of 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is UOSWBJFZJZMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3.
What are the key properties of 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one?
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 25173617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).