2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid

C28H25NO7 — CID 68909292

IUPAC2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid
SMILESCCOc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(OCC(=O)O)c1
InChIInChI=1S/C28H25NO7/c1-3-33-22-13-14-23(25(15-22)35-17-26(30)31)27(32)19-9-11-21(12-10-19)34-16-24-18(2)36-28(29-24)20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,30,31)
InChIKeyIZWBZAZYECMXQX-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.32
Rot. Bonds11

About 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid

2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid (PubChem CID 68909292) has the molecular formula C28H25NO7 and a molecular weight of 487.51 g/mol. Its IUPAC name is 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid
PubChem CID68909292
Molecular FormulaC28H25NO7
Molecular Weight487.51 g/mol
Exact Mass487.16
IUPAC Name2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid
SMILESCCOc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(OCC(=O)O)c1
InChIInChI=1S/C28H25NO7/c1-3-33-22-13-14-23(25(15-22)35-17-26(30)31)27(32)19-9-11-21(12-10-19)34-16-24-18(2)36-28(29-24)20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,30,31)
InChIKeyIZWBZAZYECMXQX-UHFFFAOYSA-N
XLogP5.32
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid with MolForge

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid
CID 68914877
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
ethyl 3-[2-ethoxy-4-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]propanoate
CID 68883694
2-[5-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883808
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
CID 16589131
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid?
The IUPAC name of 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid (CID 68909292) is 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid is CCOc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(OCC(=O)O)c1.
What is the InChIKey of 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid?
The InChIKey is IZWBZAZYECMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO7/c1-3-33-22-13-14-23(25(15-22)35-17-26(30)31)27(32)19-9-11-21(12-10-19)34-16-24-18(2)36-28(29-24)20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,30,31).
What are the key properties of 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid?
2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid has a molecular weight of 487.51 g/mol, XLogP of 5.32, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]acetic acid is sourced from PubChem (CID 68909292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).