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

C18H16ClN3O3 — CID 46266785

IUPACN-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCCc1noc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O3/c1-2-16-21-18(25-22-16)12-7-9-13(10-8-12)24-11-17(23)20-15-6-4-3-5-14(15)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyDNCQRLDWZITZNJ-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.97
Rot. Bonds6

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

N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 46266785) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID46266785
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCCc1noc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H16ClN3O3/c1-2-16-21-18(25-22-16)12-7-9-13(10-8-12)24-11-17(23)20-15-6-4-3-5-14(15)19/h3-10H,2,11H2,1H3,(H,20,23)
InChIKeyDNCQRLDWZITZNJ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 46266785) is N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is CCc1noc(-c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is DNCQRLDWZITZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-16-21-18(25-22-16)12-7-9-13(10-8-12)24-11-17(23)20-15-6-4-3-5-14(15)19/h3-10H,2,11H2,1H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 46266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).