2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid

C24H25NO5 — CID 19746204

IUPAC2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(C(=O)CCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChIInChI=1S/C24H25NO5/c1-3-29-22(24(27)28)15-17-9-11-18(12-10-17)21(26)14-13-20-16(2)30-23(25-20)19-7-5-4-6-8-19/h4-12,22H,3,13-15H2,1-2H3,(H,27,28)
InChIKeyIGVLXYAHFSGOIW-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.50
Rot. Bonds10

About 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid

2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid (PubChem CID 19746204) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid
PubChem CID19746204
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(C(=O)CCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
InChIInChI=1S/C24H25NO5/c1-3-29-22(24(27)28)15-17-9-11-18(12-10-17)21(26)14-13-20-16(2)30-23(25-20)19-7-5-4-6-8-19/h4-12,22H,3,13-15H2,1-2H3,(H,27,28)
InChIKeyIGVLXYAHFSGOIW-UHFFFAOYSA-N
XLogP4.50
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10273971
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608
4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]benzaldehyde
CID 14456655
(2S)-2-ethoxy-3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10201568
2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
CID 18003605
2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 18003547
2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid;2-ethoxy-3-[2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran-5-yl]propanoic acid
CID 160623624
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]thiolane-2,4-dione
CID 158986644
(2R)-2-ethoxy-3-[1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]indol-5-yl]propanoic acid
CID 10094343
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
bromo (2S)-2-ethoxy-5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentanoate
CID 91607136

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid (CID 19746204) is 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid is CCOC(Cc1ccc(C(=O)CCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid?
The InChIKey is IGVLXYAHFSGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-3-29-22(24(27)28)15-17-9-11-18(12-10-17)21(26)14-13-20-16(2)30-23(25-20)19-7-5-4-6-8-19/h4-12,22H,3,13-15H2,1-2H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid?
2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid has a molecular weight of 407.47 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid is sourced from PubChem (CID 19746204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).