2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid

C26H28N2O7 — CID 20604918

IUPAC2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)Oc3cccc(OC4CC4)c3)c2)c(C)o1
InChIInChI=1S/C26H28N2O7/c1-17-24(27-18(2)33-17)11-12-32-21-6-3-5-19(13-21)15-28(16-25(29)30)26(31)35-23-8-4-7-22(14-23)34-20-9-10-20/h3-8,13-14,20H,9-12,15-16H2,1-2H3,(H,29,30)
InChIKeyKPKNHPNHILXPBE-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.54
Rot. Bonds11

About 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid

2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid (PubChem CID 20604918) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
PubChem CID20604918
Molecular FormulaC26H28N2O7
Molecular Weight480.52 g/mol
Exact Mass480.19
IUPAC Name2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)Oc3cccc(OC4CC4)c3)c2)c(C)o1
InChIInChI=1S/C26H28N2O7/c1-17-24(27-18(2)33-17)11-12-32-21-6-3-5-19(13-21)15-28(16-25(29)30)26(31)35-23-8-4-7-22(14-23)34-20-9-10-20/h3-8,13-14,20H,9-12,15-16H2,1-2H3,(H,29,30)
InChIKeyKPKNHPNHILXPBE-UHFFFAOYSA-N
XLogP4.54
TPSA111.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid
CID 20604896
(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid
CID 23577831
2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087558
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid
CID 20723564
2-[(4-methylphenoxy)carbonyl-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-oxazole
CID 159797295
2-[(4-methoxyphenyl)sulfanylcarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087645
2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(5-thiophen-2-ylthiophen-2-yl)methyl]amino]acetic acid
CID 20604902
2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-hydroxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 161035524
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 22087629

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid (CID 20604918) is 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid is Cc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)Oc3cccc(OC4CC4)c3)c2)c(C)o1.
What is the InChIKey of 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid?
The InChIKey is KPKNHPNHILXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-17-24(27-18(2)33-17)11-12-32-21-6-3-5-19(13-21)15-28(16-25(29)30)26(31)35-23-8-4-7-22(14-23)34-20-9-10-20/h3-8,13-14,20H,9-12,15-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid?
2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid has a molecular weight of 480.52 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 20604918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).