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

C21H23N3O5 — CID 22431653

IUPACN-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc(Cc2nnc(C(=O)NCCc3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-26-16-11-15(12-17(27-2)19(16)28-3)13-18-23-24-21(29-18)20(25)22-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyAQMQDOMSPIUCKI-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.66
Rot. Bonds9

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

N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431653) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431653
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc(Cc2nnc(C(=O)NCCc3ccccc3)o2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5/c1-26-16-11-15(12-17(27-2)19(16)28-3)13-18-23-24-21(29-18)20(25)22-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyAQMQDOMSPIUCKI-UHFFFAOYSA-N
XLogP2.66
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431699
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22520128
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
N-(2-methoxyethyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393376
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393297
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431653) is N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1cc(Cc2nnc(C(=O)NCCc3ccccc3)o2)cc(OC)c1OC.
What is the InChIKey of N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AQMQDOMSPIUCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-16-11-15(12-17(27-2)19(16)28-3)13-18-23-24-21(29-18)20(25)22-10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).