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

C17H13Cl2N3O2 — CID 22431605

IUPACN-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-6-12(14(19)9-13)8-15-21-22-17(24-15)16(23)20-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,23)
InChIKeyGWLHUAZSWJXWIB-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.90
Rot. Bonds5

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

N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431605) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431605
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nnc(Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-6-12(14(19)9-13)8-15-21-22-17(24-15)16(23)20-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,23)
InChIKeyGWLHUAZSWJXWIB-UHFFFAOYSA-N
XLogP3.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487
5-[(3-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431821
5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-[(2-chloro-4-fluorophenyl)methyl]-N-(1-phenylbutan-2-yl)-1,3,4-oxadiazole-2-carboxamide
CID 22431762
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22431605) is N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccc1)c1nnc(Cc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GWLHUAZSWJXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-7-6-12(14(19)9-13)8-15-21-22-17(24-15)16(23)20-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,23).
What are the key properties of N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).