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

C24H21ClN4O2 — CID 22433001

IUPAC5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(C(Nc2ccccc2)c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H21ClN4O2/c25-19-13-11-18(12-14-19)21(27-20-9-5-2-6-10-20)23-28-29-24(31-23)22(30)26-16-15-17-7-3-1-4-8-17/h1-14,21,27H,15-16H2,(H,26,30)
InChIKeyHYJYODFFHRRXFT-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.90
Rot. Bonds8

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

5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22433001) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22433001
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nnc(C(Nc2ccccc2)c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H21ClN4O2/c25-19-13-11-18(12-14-19)21(27-20-9-5-2-6-10-20)23-28-29-24(31-23)22(30)26-16-15-17-7-3-1-4-8-17/h1-14,21,27H,15-16H2,(H,26,30)
InChIKeyHYJYODFFHRRXFT-UHFFFAOYSA-N
XLogP4.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 22433001) is 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCCc1ccccc1)c1nnc(C(Nc2ccccc2)c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HYJYODFFHRRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-19-13-11-18(12-14-19)21(27-20-9-5-2-6-10-20)23-28-29-24(31-23)22(30)26-16-15-17-7-3-1-4-8-17/h1-14,21,27H,15-16H2,(H,26,30).
What are the key properties of 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[anilino-(4-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22433001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).