5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole

C17H14ClNO2 — CID 52643423

IUPAC5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCCOc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H14ClNO2/c1-2-20-14-5-3-4-12(10-14)6-9-17-19-15-11-13(18)7-8-16(15)21-17/h3-11H,2H2,1H3/b9-6+
InChIKeyGAXMAQZNTNXOCH-RMKNXTFCSA-N
MW299.76 g/mol
LogP5.05
Rot. Bonds4

About 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole

5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 52643423) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID52643423
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCCOc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H14ClNO2/c1-2-20-14-5-3-4-12(10-14)6-9-17-19-15-11-13(18)7-8-16(15)21-17/h3-11H,2H2,1H3/b9-6+
InChIKeyGAXMAQZNTNXOCH-RMKNXTFCSA-N
XLogP5.05
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.76
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
CID 135556574
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 16555336
5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
2-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 17456708
2-[2-(3-phenoxyphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 5240283
2-[2-bromo-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 39902492
5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzoxazole
CID 4884473
5-chloro-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzoxazole
CID 25474793
5-chloro-2-[(E)-2-quinoxalin-2-ylethenyl]-1,3-benzoxazole
CID 9030692
(Z)-1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 135996985
1-(5-chloro-1,3-benzoxazol-2-yl)prop-1-en-2-ol
CID 136755171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole (CID 52643423) is 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole is CCOc1cccc(/C=C/c2nc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is GAXMAQZNTNXOCH-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-20-14-5-3-4-12(10-14)6-9-17-19-15-11-13(18)7-8-16(15)21-17/h3-11H,2H2,1H3/b9-6+.
What are the key properties of 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole?
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 299.76 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 52643423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).