5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione

C27H33NO5 — CID 24901761

IUPAC5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCCCC2)ccc1OCCCOc1ccc(C2OC(=O)NC2=O)cc1
InChIInChI=1S/C27H33NO5/c1-2-7-22-18-21(19-8-4-3-5-9-19)12-15-24(22)32-17-6-16-31-23-13-10-20(11-14-23)25-26(29)28-27(30)33-25/h10-15,18-19,25H,2-9,16-17H2,1H3,(H,28,29,30)
InChIKeyCDSIXYFIAKCJFQ-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.84
Rot. Bonds10

About 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione

5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 24901761) has the molecular formula C27H33NO5 and a molecular weight of 451.56 g/mol. Its IUPAC name is 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID24901761
Molecular FormulaC27H33NO5
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCCCC2)ccc1OCCCOc1ccc(C2OC(=O)NC2=O)cc1
InChIInChI=1S/C27H33NO5/c1-2-7-22-18-21(19-8-4-3-5-9-19)12-15-24(22)32-17-6-16-31-23-13-10-20(11-14-23)25-26(29)28-27(30)33-25/h10-15,18-19,25H,2-9,16-17H2,1H3,(H,28,29,30)
InChIKeyCDSIXYFIAKCJFQ-UHFFFAOYSA-N
XLogP5.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione 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 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (CID 24901761) is 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(C2CCCCC2)ccc1OCCCOc1ccc(C2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CDSIXYFIAKCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO5/c1-2-7-22-18-21(19-8-4-3-5-9-19)12-15-24(22)32-17-6-16-31-23-13-10-20(11-14-23)25-26(29)28-27(30)33-25/h10-15,18-19,25H,2-9,16-17H2,1H3,(H,28,29,30).
What are the key properties of 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 451.56 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 24901761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).