N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide

C19H19N3O4 — CID 90652660

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc1O
InChIInChI=1S/C19H19N3O4/c1-25-16-8-7-14(12-15(16)23)19(24)20-10-9-18-21-17(22-26-18)11-13-5-3-2-4-6-13/h2-8,12,23H,9-11H2,1H3,(H,20,24)
InChIKeyQGOKIDVEAWYOEJ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.35
Rot. Bonds7

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 90652660) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
PubChem CID90652660
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc1O
InChIInChI=1S/C19H19N3O4/c1-25-16-8-7-14(12-15(16)23)19(24)20-10-9-18-21-17(22-26-18)11-13-5-3-2-4-6-13/h2-8,12,23H,9-11H2,1H3,(H,20,24)
InChIKeyQGOKIDVEAWYOEJ-UHFFFAOYSA-N
XLogP2.35
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70753464
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157010924
3-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 60863892

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide (CID 90652660) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc1O.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is QGOKIDVEAWYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-16-8-7-14(12-15(16)23)19(24)20-10-9-18-21-17(22-26-18)11-13-5-3-2-4-6-13/h2-8,12,23H,9-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 90652660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).