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

C21H23N3O4 — CID 146126326

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc(OC)c1C
InChIInChI=1S/C21H23N3O4/c1-14-17(26-2)12-16(13-18(14)27-3)21(25)22-10-9-20-23-19(24-28-20)11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
InChIKeyBFTFJQWPFZVUMK-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.96
Rot. Bonds8

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

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 146126326) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID146126326
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc(OC)c1C
InChIInChI=1S/C21H23N3O4/c1-14-17(26-2)12-16(13-18(14)27-3)21(25)22-10-9-20-23-19(24-28-20)11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25)
InChIKeyBFTFJQWPFZVUMK-UHFFFAOYSA-N
XLogP2.96
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660
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]-2,5-difluorobenzamide
CID 91763292
4-fluoro-3-methoxy-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 91796620
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxybenzamide
CID 91784694
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157010924
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (CID 146126326) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCCc2nc(Cc3ccccc3)no2)cc(OC)c1C.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is BFTFJQWPFZVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-17(26-2)12-16(13-18(14)27-3)21(25)22-10-9-20-23-19(24-28-20)11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 381.43 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 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]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 146126326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).