N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide

C21H16N2O3 — CID 137174937

IUPACN-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C21H16N2O3/c24-17-11-5-4-9-15(17)21-23-19-16(10-6-12-18(19)26-21)20(25)22-13-14-7-2-1-3-8-14/h1-12,24H,13H2,(H,22,25)
InChIKeyPGGKJQZCWWZAIC-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.13
Rot. Bonds4

About N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide

N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide (PubChem CID 137174937) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide
PubChem CID137174937
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2oc(-c3ccccc3O)nc12
InChIInChI=1S/C21H16N2O3/c24-17-11-5-4-9-15(17)21-23-19-16(10-6-12-18(19)26-21)20(25)22-13-14-7-2-1-3-8-14/h1-12,24H,13H2,(H,22,25)
InChIKeyPGGKJQZCWWZAIC-UHFFFAOYSA-N
XLogP4.13
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide (CID 137174937) is N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide is O=C(NCc1ccccc1)c1cccc2oc(-c3ccccc3O)nc12.
What is the InChIKey of N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide?
The InChIKey is PGGKJQZCWWZAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-17-11-5-4-9-15(17)21-23-19-16(10-6-12-18(19)26-21)20(25)22-13-14-7-2-1-3-8-14/h1-12,24H,13H2,(H,22,25).
What are the key properties of N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide?
N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 137174937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).