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

C18H16ClN3O4 — CID 46665438

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O4/c19-14-6-8-15(9-7-14)25-11-10-20-16(23)12-22-18(24)26-17(21-22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23)
InChIKeyXSVSXMBQMIUNID-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.35
Rot. Bonds7

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

N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 46665438) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID46665438
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O4/c19-14-6-8-15(9-7-14)25-11-10-20-16(23)12-22-18(24)26-17(21-22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23)
InChIKeyXSVSXMBQMIUNID-UHFFFAOYSA-N
XLogP2.35
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007085
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46684237
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721677
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808
2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 27758281
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 154800755
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 9482603
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 134006814

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 46665438) is N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is O=C(Cn1nc(-c2ccccc2)oc1=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is XSVSXMBQMIUNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-14-6-8-15(9-7-14)25-11-10-20-16(23)12-22-18(24)26-17(21-22)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 373.80 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 46665438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).