N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide

C15H19N3O5 — CID 935373

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C15H19N3O5/c1-5-13-17-12(18-23-13)8-16-15(19)9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,19)
InChIKeyLRIOLIRAHBAFRT-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.59
Rot. Bonds7

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 935373) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID935373
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C15H19N3O5/c1-5-13-17-12(18-23-13)8-16-15(19)9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,19)
InChIKeyLRIOLIRAHBAFRT-UHFFFAOYSA-N
XLogP1.59
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 2731143
3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 1252416
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
(2,4-Dimethoxy-phenyl)-{3-[3-(3,4-dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 647341
(4-Methoxy-phenyl)-{3-[3-(3,4,5-trimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 650581
3-(2-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666344
5-(3,4-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666991
3-(4-Methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1084018
N-benzyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 1838117
3-(2-Methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 2237189
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 2992175
3,4-dimethoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
CID 3159101

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide (CID 935373) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide is CCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LRIOLIRAHBAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-5-13-17-12(18-23-13)8-16-15(19)9-6-10(20-2)14(22-4)11(7-9)21-3/h6-7H,5,8H2,1-4H3,(H,16,19).
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 321.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 935373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).