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

C24H28N2O4 — CID 20723564

IUPAC2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(C)c3ccccc3)c2)c(C)o1
InChIInChI=1S/C24H28N2O4/c1-17(21-9-5-4-6-10-21)26(16-24(27)28)15-20-8-7-11-22(14-20)29-13-12-23-18(2)30-19(3)25-23/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,27,28)
InChIKeyJWXZMHBLRCOTLE-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.56
Rot. Bonds10

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

2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid (PubChem CID 20723564) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid
PubChem CID20723564
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid
SMILESCc1nc(CCOc2cccc(CN(CC(=O)O)C(C)c3ccccc3)c2)c(C)o1
InChIInChI=1S/C24H28N2O4/c1-17(21-9-5-4-6-10-21)26(16-24(27)28)15-20-8-7-11-22(14-20)29-13-12-23-18(2)30-19(3)25-23/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,27,28)
InChIKeyJWXZMHBLRCOTLE-UHFFFAOYSA-N
XLogP4.56
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)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
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
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-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 20604918
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
2-[[3-(3-hydroxypropoxy)phenyl]methyl-(1-phenylethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 66885405
5-[1-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-2-phenyltriazole-4-carboxylic acid
CID 23402790
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-[(4-methoxyphenyl)sulfanylcarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087645
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 22087557
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid (CID 20723564) is 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid is Cc1nc(CCOc2cccc(CN(CC(=O)O)C(C)c3ccccc3)c2)c(C)o1.
What is the InChIKey of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid?
The InChIKey is JWXZMHBLRCOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17(21-9-5-4-6-10-21)26(16-24(27)28)15-20-8-7-11-22(14-20)29-13-12-23-18(2)30-19(3)25-23/h4-11,14,17H,12-13,15-16H2,1-3H3,(H,27,28).
What are the key properties of 2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid?
2-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(1-phenylethyl)amino]acetic acid has a molecular weight of 408.50 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 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-(1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 20723564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).