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

C18H16ClN3O3 — CID 5308955

IUPAC5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-17(23)18-22-21-16(25-18)10-12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyJZIPIZANXHFNFF-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.25
Rot. Bonds6

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

5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5308955) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID5308955
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C18H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-17(23)18-22-21-16(25-18)10-12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyJZIPIZANXHFNFF-UHFFFAOYSA-N
XLogP3.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 5308955) is 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JZIPIZANXHFNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-17(23)18-22-21-16(25-18)10-12-6-8-14(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5308955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).