2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide

C25H21ClN2O4 — CID 16555336

IUPAC2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C25H21ClN2O4/c1-2-30-23-14-17(9-13-25-28-20-15-18(26)10-12-21(20)32-25)8-11-22(23)31-16-24(29)27-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H,27,29)/b13-9+
InChIKeyHJPPGUYNCPMCJS-UKTHLTGXSA-N
MW448.91 g/mol
LogP6.07
Rot. Bonds8

About 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide

2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 16555336) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID16555336
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC Name2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C25H21ClN2O4/c1-2-30-23-14-17(9-13-25-28-20-15-18(26)10-12-21(20)32-25)8-11-22(23)31-16-24(29)27-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H,27,29)/b13-9+
InChIKeyHJPPGUYNCPMCJS-UKTHLTGXSA-N
XLogP6.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-phenylacetamide
CID 6489928
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 17456708
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
CID 135556574
2-[2-bromo-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 39902492
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
2-[2-ethoxy-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-phenylacetamide
CID 19567092
2-[2-ethoxy-4-[(Z)-(3-methyl-5-oxo-1,2-oxazol-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 1305382
2-[4-[(E)-3-(1,3-dimethylpyrazol-4-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 19556620
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 19556804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide (CID 16555336) is 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is HJPPGUYNCPMCJS-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-2-30-23-14-17(9-13-25-28-20-15-18(26)10-12-21(20)32-25)8-11-22(23)31-16-24(29)27-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H,27,29)/b13-9+.
What are the key properties of 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide?
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 448.91 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 16555336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).