7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

C15H11NO3 — CID 135494488

IUPAC7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H11NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h2-8,17-18H,1H2
InChIKeyDNOMWUYUDHLCAY-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.55
Rot. Bonds2

About 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol

7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 135494488) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID135494488
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
SMILESC=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H11NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h2-8,17-18H,1H2
InChIKeyDNOMWUYUDHLCAY-UHFFFAOYSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol (CID 135494488) is 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is C=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is DNOMWUYUDHLCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-2-9-7-12(18)8-13-14(9)19-15(16-13)10-3-5-11(17)6-4-10/h2-8,17-18H,1H2.
What are the key properties of 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol?
7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 253.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 135494488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).