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

C17H15N3O3 — CID 110391670

IUPACN-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)15(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyWXXCJOUXOKIOMS-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.68
Rot. Bonds5

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

N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391670) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391670
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)15(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyWXXCJOUXOKIOMS-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391670) is N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1-c1nnc(C(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WXXCJOUXOKIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)15(21)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).