2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid

C23H25NO6 — CID 23589987

IUPAC2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
SMILESCOCc1cc(OCCc2coc(-c3ccccc3)n2)ccc1OC(C)(C)C(=O)O
InChIInChI=1S/C23H25NO6/c1-23(2,22(25)26)30-20-10-9-19(13-17(20)14-27-3)28-12-11-18-15-29-21(24-18)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,25,26)
InChIKeyFBUGSZRIQRBBJQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.35
Rot. Bonds10

About 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid

2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 23589987) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
PubChem CID23589987
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
SMILESCOCc1cc(OCCc2coc(-c3ccccc3)n2)ccc1OC(C)(C)C(=O)O
InChIInChI=1S/C23H25NO6/c1-23(2,22(25)26)30-20-10-9-19(13-17(20)14-27-3)28-12-11-18-15-29-21(24-18)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,25,26)
InChIKeyFBUGSZRIQRBBJQ-UHFFFAOYSA-N
XLogP4.35
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(benzylcarbamoyloxymethyl)-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoic acid
CID 69231457
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-[2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoate
CID 69232282
2-[2-(hydroxymethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid
CID 22261220
2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-phenylphenoxy]propanoic acid
CID 12966849
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281
2-methylsulfonyl-1-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethanone
CID 59093125
tert-butyl 3-[2-(methoxymethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 58979302
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
3-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanehydrazide
CID 67706985
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2-methyl-2-[4-[2-(2-phenyl-5-propyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
CID 22261129
N-methyl-2-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfanylacetohydrazide
CID 67706926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid (CID 23589987) is 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is COCc1cc(OCCc2coc(-c3ccccc3)n2)ccc1OC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid?
The InChIKey is FBUGSZRIQRBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-23(2,22(25)26)30-20-10-9-19(13-17(20)14-27-3)28-12-11-18-15-29-21(24-18)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H,25,26).
What are the key properties of 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid?
2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 411.45 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 23589987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).