2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid

C23H22Cl2N2O5 — CID 25263397

IUPAC2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESCC(C)c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O5/c1-13(2)22-20(21(27-32-22)15-5-3-4-14(10-15)11-19(28)29)23(30)26-8-9-31-18-7-6-16(24)12-17(18)25/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyVGDVHUHMEGINCY-UHFFFAOYSA-N
MW477.34 g/mol
LogP5.21
Rot. Bonds9

About 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid

2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid (PubChem CID 25263397) has the molecular formula C23H22Cl2N2O5 and a molecular weight of 477.34 g/mol. Its IUPAC name is 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid
PubChem CID25263397
Molecular FormulaC23H22Cl2N2O5
Molecular Weight477.34 g/mol
Exact Mass476.09
IUPAC Name2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESCC(C)c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl2N2O5/c1-13(2)22-20(21(27-32-22)15-5-3-4-14(10-15)11-19(28)29)23(30)26-8-9-31-18-7-6-16(24)12-17(18)25/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyVGDVHUHMEGINCY-UHFFFAOYSA-N
XLogP5.21
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.34
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid 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

2-[4-[5-(3-chlorophenyl)-4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-1,2-oxazol-3-yl]phenyl]acetic acid
CID 11656818
2-[4-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenyl]acetic acid
CID 11706911
2-[4-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]phenyl]acetic acid
CID 11678675
2-[4-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenoxy]acetic acid
CID 59520412
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
N-[2-(2,4-dichlorophenoxy)ethyl]-3-hydroxy-4-methylpent-2-enamide
CID 71423229
2-[3-[3-[2-(2,4-dichlorophenoxy)ethyl]-4-prop-2-enoxyphenyl]phenyl]acetic acid
CID 163497951
lithium;2-[3-chloro-4-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]acetic acid;2-(2,4-dichlorophenoxy)ethanamine;N-[2-(2,4-dichlorophenoxy)ethyl]-3-oxo-3-phenylpropanamide;ethyl 3-oxo-3-phenylpropanoate;methane;methyl 2-[3-chloro-4-[(Z)-C-chloro-N-hydroxycarbonimidoyl]phenyl]acetate;methyl 2-[3-chloro-4-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]acetate;hydroxide
CID 172963828
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134087190
2-[3-chloro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
CID 51057233

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid (CID 25263397) is 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid is CC(C)c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid?
The InChIKey is VGDVHUHMEGINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O5/c1-13(2)22-20(21(27-32-22)15-5-3-4-14(10-15)11-19(28)29)23(30)26-8-9-31-18-7-6-16(24)12-17(18)25/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid?
2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid has a molecular weight of 477.34 g/mol, XLogP of 5.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-propan-2-yl-1,2-oxazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 25263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).