4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C17H14ClN3O2 — CID 91907246

IUPAC4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c18-14-8-6-12(7-9-14)16(22)19-11-10-15-20-17(23-21-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22)
InChIKeyNSVVUWSWXKOZCX-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 91907246) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID91907246
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c18-14-8-6-12(7-9-14)16(22)19-11-10-15-20-17(23-21-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22)
InChIKeyNSVVUWSWXKOZCX-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70723086
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 90650826
1,5-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 91907258
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
4-[3-[2-[(4-chlorophenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbenzamide
CID 50826958
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77082164
1-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methyl-3-phenylurea
CID 53055270
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86284965
2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77079049
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 91907246) is 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is O=C(NCCc1noc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is NSVVUWSWXKOZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-8-6-12(7-9-14)16(22)19-11-10-15-20-17(23-21-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22).
What are the key properties of 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 327.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 91907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).