3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one

C14H25NO3 — CID 165491160

IUPAC3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)C1CCC(O)CC1N1CC(C)(C)OC1=O
InChIInChI=1S/C14H25NO3/c1-9(2)11-6-5-10(16)7-12(11)15-8-14(3,4)18-13(15)17/h9-12,16H,5-8H2,1-4H3
InChIKeyQWWNIFDSVNTVHZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.40
Rot. Bonds2

About 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one

3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 165491160) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID165491160
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)C1CCC(O)CC1N1CC(C)(C)OC1=O
InChIInChI=1S/C14H25NO3/c1-9(2)11-6-5-10(16)7-12(11)15-8-14(3,4)18-13(15)17/h9-12,16H,5-8H2,1-4H3
InChIKeyQWWNIFDSVNTVHZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one (CID 165491160) is 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one is CC(C)C1CCC(O)CC1N1CC(C)(C)OC1=O.
What is the InChIKey of 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is QWWNIFDSVNTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)11-6-5-10(16)7-12(11)15-8-14(3,4)18-13(15)17/h9-12,16H,5-8H2,1-4H3.
What are the key properties of 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one?
3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-2-propan-2-ylcyclohexyl)-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 165491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).