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

C24H18Cl2N2O6 — CID 25263398

IUPAC2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H18Cl2N2O6/c25-16-6-7-18(17(26)13-16)33-10-8-27-24(31)21-22(28-34-23(21)19-5-2-9-32-19)15-4-1-3-14(11-15)12-20(29)30/h1-7,9,11,13H,8,10,12H2,(H,27,31)(H,29,30)
InChIKeyCUTONGFQGBPDDB-UHFFFAOYSA-N
MW501.32 g/mol
LogP5.34
Rot. Bonds9

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

2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid (PubChem CID 25263398) has the molecular formula C24H18Cl2N2O6 and a molecular weight of 501.32 g/mol. Its IUPAC name is 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid
PubChem CID25263398
Molecular FormulaC24H18Cl2N2O6
Molecular Weight501.32 g/mol
Exact Mass500.05
IUPAC Name2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H18Cl2N2O6/c25-16-6-7-18(17(26)13-16)33-10-8-27-24(31)21-22(28-34-23(21)19-5-2-9-32-19)15-4-1-3-14(11-15)12-20(29)30/h1-7,9,11,13H,8,10,12H2,(H,27,31)(H,29,30)
InChIKeyCUTONGFQGBPDDB-UHFFFAOYSA-N
XLogP5.34
TPSA114.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.32
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

(3-{4-[2-(2,4-Dichloro-Phenoxy)-Ethylcarbamoyl]-5-Phenyl-Isoxazol-3-Yl}-Phenyl)-Acetic Acid
CID 9549255
(3-Chloro-4-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid
CID 11497604
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-(furan-2-yl)isoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 16043249
2-[4-[4-[2-(2,4-Dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]acetic acid
CID 25263392
(4-{4-[2-(2,4-Dichloro-phenoxy)-ethyl-carbamoyl]-5-phenyl-isoxazol-3-yl}-2-methyl-phenoxy)-acetic acid
CID 25263394
3-[3-[4-[2-(2,4-Dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 25263395
2-[3-[4-[2-(2,4-Dichlorophenoxy)ethylcarbamoyl]-5-(2-methylphenyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 25263399
2-[3-[5-(2-Chlorophenyl)-4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-1,2-oxazol-3-yl]phenyl]acetic acid
CID 25263400
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-isopropylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414917
2-(3-Chloro-4-(5-cyclopropyl-4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)isoxazol-3-yl)phenyl)acetic acid
CID 44414927
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-methylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414967
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-ethylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414968

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid (CID 25263398) is 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-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-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid?
The InChIKey is CUTONGFQGBPDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O6/c25-16-6-7-18(17(26)13-16)33-10-8-27-24(31)21-22(28-34-23(21)19-5-2-9-32-19)15-4-1-3-14(11-15)12-20(29)30/h1-7,9,11,13H,8,10,12H2,(H,27,31)(H,29,30).
What are the key properties of 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid?
2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid has a molecular weight of 501.32 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-(2,4-dichlorophenoxy)ethylcarbamoyl]-5-(furan-2-yl)-1,2-oxazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 25263398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).