5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C17H14ClN3O2 — CID 110393203

IUPAC5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H14ClN3O2/c18-14-9-5-4-8-13(14)11-19-16(22)17-21-20-15(23-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyBGMMGKGYPWOETB-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.24
Rot. Bonds5

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

5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393203) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393203
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H14ClN3O2/c18-14-9-5-4-8-13(14)11-19-16(22)17-21-20-15(23-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyBGMMGKGYPWOETB-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431605
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431946
5-[(3-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431821
N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 110393203) is 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccc1Cl)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is BGMMGKGYPWOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-9-5-4-8-13(14)11-19-16(22)17-21-20-15(23-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).