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

C12H12ClN3O2 — CID 4893681

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H12ClN3O2/c1-8(17)14-7-6-11-15-12(16-18-11)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyODFIRQVHLRWSPJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.07
Rot. Bonds4

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 4893681) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID4893681
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H12ClN3O2/c1-8(17)14-7-6-11-15-12(16-18-11)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyODFIRQVHLRWSPJ-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 4893681) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is ODFIRQVHLRWSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-8(17)14-7-6-11-15-12(16-18-11)9-2-4-10(13)5-3-9/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 265.70 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 4893681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).