4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione

C22H20N2O5 — CID 67655973

IUPAC4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione
SMILESCc1oc(-c2ccccc2)nc1CCON1OC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O5/c1-15-19(23-20(28-15)17-10-6-3-7-11-17)12-13-27-24-21(25)18(22(26)29-24)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyWMYJKSMRASZWSI-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.28
Rot. Bonds7

About 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione

4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione (PubChem CID 67655973) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione
PubChem CID67655973
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione
SMILESCc1oc(-c2ccccc2)nc1CCON1OC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O5/c1-15-19(23-20(28-15)17-10-6-3-7-11-17)12-13-27-24-21(25)18(22(26)29-24)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3
InChIKeyWMYJKSMRASZWSI-UHFFFAOYSA-N
XLogP3.28
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
CID 23076474
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
5-[[4-[(E)-N-hydroxy-C-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]carbonimidoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14456685
3-benzyl-5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4,5-dihydrotriazole-4-carboxylic acid
CID 90730652
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
CID 11729194
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
4-[2-[3-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 58977733
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]isoquinolin-1-yl]methyl]-1,3-thiazolidine-2,5-dione
CID 23352161

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione (CID 67655973) is 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione is Cc1oc(-c2ccccc2)nc1CCON1OC(=O)C(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione?
The InChIKey is WMYJKSMRASZWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-15-19(23-20(28-15)17-10-6-3-7-11-17)12-13-27-24-21(25)18(22(26)29-24)14-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3.
What are the key properties of 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione?
4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione has a molecular weight of 392.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 67655973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).