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

C23H22N2O5 — CID 11729194

IUPAC5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C23H22N2O5/c1-15-19(24-22(29-15)17-6-3-2-4-7-17)8-5-13-28-18-11-9-16(10-12-18)14-20-21(26)25-23(27)30-20/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,25,26,27)
InChIKeyQRRABPHNKGWEMO-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.84
Rot. Bonds8

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

5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 11729194) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID11729194
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C23H22N2O5/c1-15-19(24-22(29-15)17-6-3-2-4-7-17)8-5-13-28-18-11-9-16(10-12-18)14-20-21(26)25-23(27)30-20/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,25,26,27)
InChIKeyQRRABPHNKGWEMO-UHFFFAOYSA-N
XLogP3.84
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1,3-oxazolidine-2,4-dione
CID 18543979
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
5-[3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]but-2-enyl]-1,3-oxazolidine-2,4-dione
CID 67620458
5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione
CID 11761871
5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
CID 70282530
4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 18546152
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
1-hydroxy-3-methyl-1-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]urea
CID 15646286
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 159428766
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 11729194) is 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1CCCOc1ccc(CC2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QRRABPHNKGWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15-19(24-22(29-15)17-6-3-2-4-7-17)8-5-13-28-18-11-9-16(10-12-18)14-20-21(26)25-23(27)30-20/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,25,26,27).
What are the key properties of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 406.44 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11729194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).