3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one

C16H19NO2 — CID 86040595

IUPAC3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C1C(c2ccccc2)OC(=O)N1C1CCCCC1
InChIInChI=1S/C16H19NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,1,3,6-7,10-11H2
InChIKeyDGAGSECLEBNBTL-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.03
Rot. Bonds2

About 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one

3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 86040595) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one
PubChem CID86040595
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one
SMILESC=C1C(c2ccccc2)OC(=O)N1C1CCCCC1
InChIInChI=1S/C16H19NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,1,3,6-7,10-11H2
InChIKeyDGAGSECLEBNBTL-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one (CID 86040595) is 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one is C=C1C(c2ccccc2)OC(=O)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DGAGSECLEBNBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-15(13-8-4-2-5-9-13)19-16(18)17(12)14-10-6-3-7-11-14/h2,4-5,8-9,14-15H,1,3,6-7,10-11H2.
What are the key properties of 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one?
3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 257.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methylidene-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 86040595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).