methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate

C25H23NO6 — CID 44589471

IUPACmethyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
SMILESCCc1ccc(Oc2ccc(Cn3c(=O)oc4ccc(OCC(=O)OC)cc43)cc2)cc1
InChIInChI=1S/C25H23NO6/c1-3-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)15-26-22-14-21(30-16-24(27)29-2)12-13-23(22)32-25(26)28/h4-14H,3,15-16H2,1-2H3
InChIKeyDEDLDPWKZAWHDU-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.55
Rot. Bonds8

About methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate

methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate (PubChem CID 44589471) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
PubChem CID44589471
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Namemethyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
SMILESCCc1ccc(Oc2ccc(Cn3c(=O)oc4ccc(OCC(=O)OC)cc43)cc2)cc1
InChIInChI=1S/C25H23NO6/c1-3-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)15-26-22-14-21(30-16-24(27)29-2)12-13-23(22)32-25(26)28/h4-14H,3,15-16H2,1-2H3
InChIKeyDEDLDPWKZAWHDU-UHFFFAOYSA-N
XLogP4.55
TPSA79.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
N-(3-methoxyphenyl)-N-methyl-2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)acetamide
CID 70695396
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780
N-methyl-2-(2-oxo-5-phenoxy-1,3-benzoxazol-3(2H)-yl)-N-phenylacetamide
CID 23153804
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methoxy-1,3-benzoxazol-2-one
CID 42598360
3-(4-butoxybenzyl)-5-methyl-1,3-benzoxazol-2(3H)-one
CID 2145485
3-[3-(4-methoxyphenoxy)propyl]-5-methyl-1,3-benzoxazol-2(3H)-one
CID 4914411
N-(2,5-dimethoxyphenyl)-2-((6-(indolin-1-ylmethyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide
CID 18575677
Methyl 2-[[3-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
CID 44589469
Methyl 2-[[3-[[4-[(4-iodophenyl)methyl]phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate
CID 44589470
3-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137643814
3-(4-Isopropoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851213

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate?
The IUPAC name of methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate (CID 44589471) is methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate is CCc1ccc(Oc2ccc(Cn3c(=O)oc4ccc(OCC(=O)OC)cc43)cc2)cc1.
What is the InChIKey of methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate?
The InChIKey is DEDLDPWKZAWHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-3-17-4-8-19(9-5-17)31-20-10-6-18(7-11-20)15-26-22-14-21(30-16-24(27)29-2)12-13-23(22)32-25(26)28/h4-14H,3,15-16H2,1-2H3.
What are the key properties of methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate?
methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate has a molecular weight of 433.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[4-(4-ethylphenoxy)phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]oxy]acetate is sourced from PubChem (CID 44589471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).