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

C25H30N2O6 — CID 69354065

IUPAC5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CNCCO2)ccc1OCCCOc1cccc(C2OC(=O)NC2=O)c1
InChIInChI=1S/C25H30N2O6/c1-2-5-17-14-18(22-16-26-10-13-32-22)8-9-21(17)31-12-4-11-30-20-7-3-6-19(15-20)23-24(28)27-25(29)33-23/h3,6-9,14-15,22-23,26H,2,4-5,10-13,16H2,1H3,(H,27,28,29)
InChIKeyKMDORGJGBOYCII-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.46
Rot. Bonds10

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

5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 69354065) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID69354065
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCCCc1cc(C2CNCCO2)ccc1OCCCOc1cccc(C2OC(=O)NC2=O)c1
InChIInChI=1S/C25H30N2O6/c1-2-5-17-14-18(22-16-26-10-13-32-22)8-9-21(17)31-12-4-11-30-20-7-3-6-19(15-20)23-24(28)27-25(29)33-23/h3,6-9,14-15,22-23,26H,2,4-5,10-13,16H2,1H3,(H,27,28,29)
InChIKeyKMDORGJGBOYCII-UHFFFAOYSA-N
XLogP3.46
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione (CID 69354065) is 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is CCCc1cc(C2CNCCO2)ccc1OCCCOc1cccc(C2OC(=O)NC2=O)c1.
What is the InChIKey of 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KMDORGJGBOYCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-2-5-17-14-18(22-16-26-10-13-32-22)8-9-21(17)31-12-4-11-30-20-7-3-6-19(15-20)23-24(28)27-25(29)33-23/h3,6-9,14-15,22-23,26H,2,4-5,10-13,16H2,1H3,(H,27,28,29).
What are the key properties of 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione?
5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 454.52 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-morpholin-2-yl-2-propylphenoxy)propoxy]phenyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 69354065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).