N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C16H19N3O5 — CID 22431699

IUPACN-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc(Cc2nnc(C(=O)NC3CC3)o2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-21-11-6-9(7-12(22-2)14(11)23-3)8-13-18-19-16(24-13)15(20)17-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyJQYKZAREUXWSHE-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.58
Rot. Bonds7

About N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431699) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431699
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc(Cc2nnc(C(=O)NC3CC3)o2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-21-11-6-9(7-12(22-2)14(11)23-3)8-13-18-19-16(24-13)15(20)17-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyJQYKZAREUXWSHE-UHFFFAOYSA-N
XLogP1.58
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide
CID 91932950
N-cyclopropyl-2-[[N-ethyl-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111378001

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431699) is N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1cc(Cc2nnc(C(=O)NC3CC3)o2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JQYKZAREUXWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-21-11-6-9(7-12(22-2)14(11)23-3)8-13-18-19-16(24-13)15(20)17-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,20).
What are the key properties of N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).