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

C17H13Cl2N3O2 — CID 15989831

IUPACN-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-5-11(6-8-13)9-15-21-22-17(24-15)16(23)20-10-12-3-1-2-4-14(12)19/h1-8H,9-10H2,(H,20,23)
InChIKeyYPSJCWPXWKSATH-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.90
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989831) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989831
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-5-11(6-8-13)9-15-21-22-17(24-15)16(23)20-10-12-3-1-2-4-14(12)19/h1-8H,9-10H2,(H,20,23)
InChIKeyYPSJCWPXWKSATH-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989831) is N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccccc1Cl)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YPSJCWPXWKSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-7-5-11(6-8-13)9-15-21-22-17(24-15)16(23)20-10-12-3-1-2-4-14(12)19/h1-8H,9-10H2,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)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-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).