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

C24H25FN2O6 — CID 20604896

IUPAC2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)OCc3ccc(F)cc3)c2)c(C)o1
InChIInChI=1S/C24H25FN2O6/c1-16-22(26-17(2)33-16)10-11-31-21-5-3-4-19(12-21)13-27(14-23(28)29)24(30)32-15-18-6-8-20(25)9-7-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,28,29)
InChIKeySXQOUFGWNKCTPF-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.28
Rot. Bonds10

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

2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid (PubChem CID 20604896) has the molecular formula C24H25FN2O6 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid
PubChem CID20604896
Molecular FormulaC24H25FN2O6
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC Name2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)OCc3ccc(F)cc3)c2)c(C)o1
InChIInChI=1S/C24H25FN2O6/c1-16-22(26-17(2)33-16)10-11-31-21-5-3-4-19(12-21)13-27(14-23(28)29)24(30)32-15-18-6-8-20(25)9-7-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,28,29)
InChIKeySXQOUFGWNKCTPF-UHFFFAOYSA-N
XLogP4.28
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]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-[(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 20604918
2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid
CID 20723564
2-[(3-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluoro-3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluorophenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
CID 158928339
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
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-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(5-thiophen-2-ylthiophen-2-yl)methyl]amino]acetic acid
CID 20604902
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
2-[(4-methoxyphenyl)sulfanylcarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087645
ethane;2-[(4-fluorophenyl)methylsulfonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;phenylmethanesulfonyl chloride
CID 158222837
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-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-(cyclopropylmethoxycarbonyl)amino]acetic acid
CID 46196686

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid (CID 20604896) is 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid is Cc1nc(CCOc2cccc(CN(CC(=O)O)C(=O)OCc3ccc(F)cc3)c2)c(C)o1.
What is the InChIKey of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid?
The InChIKey is SXQOUFGWNKCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O6/c1-16-22(26-17(2)33-16)10-11-31-21-5-3-4-19(12-21)13-27(14-23(28)29)24(30)32-15-18-6-8-20(25)9-7-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,28,29).
What are the key properties of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid?
2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid has a molecular weight of 456.47 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(4-fluorophenyl)methoxycarbonyl]amino]acetic acid is sourced from PubChem (CID 20604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).