4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

C24H35NO3 — CID 67411819

IUPAC4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1CCC(Oc2ccc3c(c2)CCC(C2(C)COC(=O)N2)C3)CC1
InChIInChI=1S/C24H35NO3/c1-23(2,3)18-8-11-20(12-9-18)28-21-10-6-16-13-19(7-5-17(16)14-21)24(4)15-27-22(26)25-24/h6,10,14,18-20H,5,7-9,11-13,15H2,1-4H3,(H,25,26)
InChIKeyHABKZDBBXULMPK-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.27
Rot. Bonds3

About 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one

4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67411819) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67411819
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1CCC(Oc2ccc3c(c2)CCC(C2(C)COC(=O)N2)C3)CC1
InChIInChI=1S/C24H35NO3/c1-23(2,3)18-8-11-20(12-9-18)28-21-10-6-16-13-19(7-5-17(16)14-21)24(4)15-27-22(26)25-24/h6,10,14,18-20H,5,7-9,11-13,15H2,1-4H3,(H,25,26)
InChIKeyHABKZDBBXULMPK-UHFFFAOYSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-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 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 67411819) is 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is CC(C)(C)C1CCC(Oc2ccc3c(c2)CCC(C2(C)COC(=O)N2)C3)CC1.
What is the InChIKey of 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HABKZDBBXULMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-23(2,3)18-8-11-20(12-9-18)28-21-10-6-16-13-19(7-5-17(16)14-21)24(4)15-27-22(26)25-24/h6,10,14,18-20H,5,7-9,11-13,15H2,1-4H3,(H,25,26).
What are the key properties of 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one?
4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 385.55 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67411819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).