5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide

C21H16N2O4 — CID 135526570

IUPAC5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(-c2noc3ccccc23)c(O)cc1O
InChIInChI=1S/C21H16N2O4/c24-17-11-18(25)16(21(26)22-12-13-6-2-1-3-7-13)10-15(17)20-14-8-4-5-9-19(14)27-23-20/h1-11,24-25H,12H2,(H,22,26)
InChIKeyXJEIGAKOGROFHK-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.84
Rot. Bonds4

About 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide

5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide (PubChem CID 135526570) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide.

Molecular Properties

Compound Name5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide
PubChem CID135526570
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(-c2noc3ccccc23)c(O)cc1O
InChIInChI=1S/C21H16N2O4/c24-17-11-18(25)16(21(26)22-12-13-6-2-1-3-7-13)10-15(17)20-14-8-4-5-9-19(14)27-23-20/h1-11,24-25H,12H2,(H,22,26)
InChIKeyXJEIGAKOGROFHK-UHFFFAOYSA-N
XLogP3.84
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573
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N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
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2-benzamido-N-benzyl-3,4,5-trihydroxybenzamide
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1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
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CID 53104839
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
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acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
1-N-benzyl-9-hydroxyphenanthrene-1,2-dicarboxamide
CID 87853008

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide?
The IUPAC name of 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide (CID 135526570) is 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide.
What is the SMILES notation for 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide?
The canonical SMILES for 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide is O=C(NCc1ccccc1)c1cc(-c2noc3ccccc23)c(O)cc1O.
What is the InChIKey of 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide?
The InChIKey is XJEIGAKOGROFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-17-11-18(25)16(21(26)22-12-13-6-2-1-3-7-13)10-15(17)20-14-8-4-5-9-19(14)27-23-20/h1-11,24-25H,12H2,(H,22,26).
What are the key properties of 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide?
5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide is sourced from PubChem (CID 135526570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).