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

C16H21N3O5 — CID 52886359

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
SMILESCCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2OC)n1
InChIInChI=1S/C16H21N3O5/c1-6-14-17-15(24-18-14)9-19(2)16(20)10-7-12(22-4)13(23-5)8-11(10)21-3/h7-8H,6,9H2,1-5H3
InChIKeyWMZIPBRBIWZSRC-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.93
Rot. Bonds7

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide (PubChem CID 52886359) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
PubChem CID52886359
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
SMILESCCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2OC)n1
InChIInChI=1S/C16H21N3O5/c1-6-14-17-15(24-18-14)9-19(2)16(20)10-7-12(22-4)13(23-5)8-11(10)21-3/h7-8H,6,9H2,1-5H3
InChIKeyWMZIPBRBIWZSRC-UHFFFAOYSA-N
XLogP1.93
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 56509182
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
2,4,5-trimethoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 91833624
5-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylbenzamide
CID 8875250
5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide
CID 86888039
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 120635057
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-dimethylbenzamide
CID 6494803
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 31369496
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 72858622

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide (CID 52886359) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide is CCc1noc(CN(C)C(=O)c2cc(OC)c(OC)cc2OC)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is WMZIPBRBIWZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-6-14-17-15(24-18-14)9-19(2)16(20)10-7-12(22-4)13(23-5)8-11(10)21-3/h7-8H,6,9H2,1-5H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 335.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 52886359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).