[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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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).