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

C27H31NO6 — CID 54583267

IUPAC(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1
InChIInChI=1S/C27H31NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,25H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,30,31)/t25-/m1/s1
InChIKeyHXGDAZUUMWWNJY-RUZDIDTESA-N
MW465.55 g/mol
LogP5.02
Rot. Bonds10

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

(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 54583267) has the molecular formula C27H31NO6 and a molecular weight of 465.55 g/mol. Its IUPAC name is (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID54583267
Molecular FormulaC27H31NO6
Molecular Weight465.55 g/mol
Exact Mass465.22
IUPAC Name(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1
InChIInChI=1S/C27H31NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,25H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,30,31)/t25-/m1/s1
InChIKeyHXGDAZUUMWWNJY-RUZDIDTESA-N
XLogP5.02
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-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 (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione (CID 54583267) is (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1.
What is the InChIKey of (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HXGDAZUUMWWNJY-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,25H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,30,31)/t25-/m1/s1.
What are the key properties of (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 465.55 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[3-[4-(4-oxocyclohexyl)-2-propylphenoxy]propoxy]phenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 54583267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).