[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol

C16H12ClNO2 — CID 82357890

IUPAC[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(/C=C/c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H12ClNO2/c17-13-5-1-11(2-6-13)4-8-16-18-14-9-12(10-19)3-7-15(14)20-16/h1-9,19H,10H2/b8-4+
InChIKeyUKYYIBBDOYJBKH-XBXARRHUSA-N
MW285.73 g/mol
LogP4.14
Rot. Bonds3

About [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol

[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol (PubChem CID 82357890) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
PubChem CID82357890
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
SMILESOCc1ccc2oc(/C=C/c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H12ClNO2/c17-13-5-1-11(2-6-13)4-8-16-18-14-9-12(10-19)3-7-15(14)20-16/h1-9,19H,10H2/b8-4+
InChIKeyUKYYIBBDOYJBKH-XBXARRHUSA-N
XLogP4.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole
CID 6214674
5-methyl-2-[(E)-2-[4-[(E)-2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 14876248
5-bromo-2-[2-[4-[2-(5-bromo-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-1,3-benzoxazole
CID 59970333
[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 54141260
5-chloro-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzoxazole
CID 4884473
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
5-chloro-2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzoxazole
CID 25474793
2-chloro-4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-6-ethoxyphenol
CID 135556574
5-chloro-2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 52643423
[2-(2-aminoethyl)-1,3-benzoxazol-5-yl]methanol
CID 83949449
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol (CID 82357890) is [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol is OCc1ccc2oc(/C=C/c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol?
The InChIKey is UKYYIBBDOYJBKH-XBXARRHUSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-5-1-11(2-6-13)4-8-16-18-14-9-12(10-19)3-7-15(14)20-16/h1-9,19H,10H2/b8-4+.
What are the key properties of [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol?
[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol has a molecular weight of 285.73 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 82357890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).