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

C27H33NO5 — CID 54581271

IUPAC(5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1
InChIInChI=1S/C27H33NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,25H,2-5,7-10,15-16H2,1H3,(H,28,29,30)/t25-/m1/s1
InChIKeyMRLDFFLOSKOQSJ-RUZDIDTESA-N
MW451.56 g/mol
LogP5.84
Rot. Bonds10

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

(5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 54581271) has the molecular formula C27H33NO5 and a molecular weight of 451.56 g/mol. Its IUPAC name is (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID54581271
Molecular FormulaC27H33NO5
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name(5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1
InChIInChI=1S/C27H33NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,25H,2-5,7-10,15-16H2,1H3,(H,28,29,30)/t25-/m1/s1
InChIKeyMRLDFFLOSKOQSJ-RUZDIDTESA-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 (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

5-[3-[3-[4-(4,4-Dimethylcyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9826417
5-[3-[3-(4-Cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9847424
5-[3-[3-[4-(Oxan-4-yl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9911749
5-[3-[3-[2-Propyl-4-(4,4-difluorocyclohexyl)phenoxy]propoxy]phenyl]oxazolidine-2,4-dione
CID 9913333
5-[3-[3-(4-Cyclopentyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9932804
5-[3-[3-(4-Cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 9933537
5-[3-[3-[4-(Cyclohexylidenemethyl)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 44345022
5-[3-[3-(2-Propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345030
5-[3-[3-[4-(Cyclohexylmethyl)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 44345031
5-[3-[3-[4-(4-Hydroxycyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345172
5-[3-[3-(4-Phenyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345174
5-[3-[3-(4-Cycloheptyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
CID 44345196

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (CID 54581271) is (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1.
What is the InChIKey of (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MRLDFFLOSKOQSJ-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33NO5/c1-2-8-21-17-20(19-9-4-3-5-10-19)13-14-24(21)32-16-7-15-31-23-12-6-11-22(18-23)25-26(29)28-27(30)33-25/h6,11-14,17-19,25H,2-5,7-10,15-16H2,1H3,(H,28,29,30)/t25-/m1/s1.
What are the key properties of (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-[3-[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 (5R)-5-[3-[3-(4-cyclohexyl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 54581271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).