N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide

C17H14ClN3O2 — CID 27210770

IUPACN-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-5-4-6-12(9-11)17-20-15(21-23-17)10-16(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyUAMGKKZAUKAQOP-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.88
Rot. Bonds4

About N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide

N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 27210770) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID27210770
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-5-4-6-12(9-11)17-20-15(21-23-17)10-16(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22)
InChIKeyUAMGKKZAUKAQOP-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 27210770) is N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is Cc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is UAMGKKZAUKAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-5-4-6-12(9-11)17-20-15(21-23-17)10-16(22)19-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 27210770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).