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

C14H10N2O4 — CID 135461939

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H10N2O4/c15-13(19)10-5-9(18)6-11-12(10)20-14(16-11)7-1-3-8(17)4-2-7/h1-6,17-18H,(H2,15,19)
InChIKeyIEVRVWMQNQJHHK-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.00
Rot. Bonds2

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

5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide (PubChem CID 135461939) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide
PubChem CID135461939
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C14H10N2O4/c15-13(19)10-5-9(18)6-11-12(10)20-14(16-11)7-1-3-8(17)4-2-7/h1-6,17-18H,(H2,15,19)
InChIKeyIEVRVWMQNQJHHK-UHFFFAOYSA-N
XLogP2.00
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide (CID 135461939) is 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide is NC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide?
The InChIKey is IEVRVWMQNQJHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c15-13(19)10-5-9(18)6-11-12(10)20-14(16-11)7-1-3-8(17)4-2-7/h1-6,17-18H,(H2,15,19).
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide?
5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide has a molecular weight of 270.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 135461939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).