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

C19H21N3O5S — CID 53078633

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)s2)no1
InChIInChI=1S/C19H21N3O5S/c1-6-16-21-18(22-27-16)15-9-12(10(2)28-15)20-19(23)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-9H,6H2,1-5H3,(H,20,23)
InChIKeySAKNCNYKLOJMPZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.95
Rot. Bonds7

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

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 53078633) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID53078633
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)s2)no1
InChIInChI=1S/C19H21N3O5S/c1-6-16-21-18(22-27-16)15-9-12(10(2)28-15)20-19(23)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-9H,6H2,1-5H3,(H,20,23)
InChIKeySAKNCNYKLOJMPZ-UHFFFAOYSA-N
XLogP3.95
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042243
5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078627
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 53042261
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 53042262
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
3,4,5-trimethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 35180458
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide (CID 53078633) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide is CCc1nc(-c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is SAKNCNYKLOJMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-6-16-21-18(22-27-16)15-9-12(10(2)28-15)20-19(23)11-7-13(24-3)17(26-5)14(8-11)25-4/h7-9H,6H2,1-5H3,(H,20,23).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 403.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 53078633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).