5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C17H15N3O3 — CID 110393297

IUPAC5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)18-16(21)17-20-19-15(23-17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyQPSSEYHXSMWZDK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.92
Rot. Bonds5

About 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393297) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393297
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)18-16(21)17-20-19-15(23-17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyQPSSEYHXSMWZDK-UHFFFAOYSA-N
XLogP2.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393337
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516
ethyl 4-[(5-benzyl-1,3,4-oxadiazole-2-carbonyl)amino]benzoate
CID 110393338
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
5-benzyl-N-(1-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393199
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-(2-chlorophenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393467
tert-butyl 5-benzyl-1,3,4-oxadiazole-2-carboxylate
CID 142791627
5-[(2-methoxyphenyl)methyl]-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 22520113

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110393297) is 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1NC(=O)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QPSSEYHXSMWZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)18-16(21)17-20-19-15(23-17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).