ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate

C16H13NO5 — CID 135415992

IUPACethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate
SMILESCCOC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H13NO5/c1-2-21-16(20)12-7-11(19)8-13-14(12)22-15(17-13)9-3-5-10(18)6-4-9/h3-8,18-19H,2H2,1H3
InChIKeyUEWDFYUQUGCZHV-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.08
Rot. Bonds3

About ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate

ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate (PubChem CID 135415992) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate
PubChem CID135415992
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Nameethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate
SMILESCCOC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H13NO5/c1-2-21-16(20)12-7-11(19)8-13-14(12)22-15(17-13)9-3-5-10(18)6-4-9/h3-8,18-19H,2H2,1H3
InChIKeyUEWDFYUQUGCZHV-UHFFFAOYSA-N
XLogP3.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate (CID 135415992) is ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate is CCOC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate?
The InChIKey is UEWDFYUQUGCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-2-21-16(20)12-7-11(19)8-13-14(12)22-15(17-13)9-3-5-10(18)6-4-9/h3-8,18-19H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate?
ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxylate is sourced from PubChem (CID 135415992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).