5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide

C16H21N3O5 — CID 22520128

IUPAC5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(Cc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C16H21N3O5/c1-21-8-4-7-17-15(20)16-19-18-14(24-16)10-11-5-6-12(22-2)13(9-11)23-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyLSPBCMLNCMVQLQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.44
Rot. Bonds9

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

5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22520128) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22520128
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOCCCNC(=O)c1nnc(Cc2ccc(OC)c(OC)c2)o1
InChIInChI=1S/C16H21N3O5/c1-21-8-4-7-17-15(20)16-19-18-14(24-16)10-11-5-6-12(22-2)13(9-11)23-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)
InChIKeyLSPBCMLNCMVQLQ-UHFFFAOYSA-N
XLogP1.44
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431894
N-(3-methoxypropyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392790
1-[4-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-hydroxyethanone
CID 159036950
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide (CID 22520128) is 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide is COCCCNC(=O)c1nnc(Cc2ccc(OC)c(OC)c2)o1.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LSPBCMLNCMVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-21-8-4-7-17-15(20)16-19-18-14(24-16)10-11-5-6-12(22-2)13(9-11)23-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22520128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).