2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide

C20H19ClN4O4 — CID 86904097

IUPAC2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H19ClN4O4/c21-15-5-3-14(4-6-15)20-24-19(29-25-20)9-10-23-18(27)12-28-16-7-1-13(2-8-16)11-17(22)26/h1-8H,9-12H2,(H2,22,26)(H,23,27)
InChIKeyATIXSSOQUAAYNK-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.16
Rot. Bonds9

About 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide

2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide (PubChem CID 86904097) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide
PubChem CID86904097
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC Name2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H19ClN4O4/c21-15-5-3-14(4-6-15)20-24-19(29-25-20)9-10-23-18(27)12-28-16-7-1-13(2-8-16)11-17(22)26/h1-8H,9-12H2,(H2,22,26)(H,23,27)
InChIKeyATIXSSOQUAAYNK-UHFFFAOYSA-N
XLogP2.16
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2990154
2-(4-chlorophenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6485250
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenoxyacetamide
CID 4974894
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
2-amino-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120989493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide (CID 86904097) is 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide is NC(=O)Cc1ccc(OCC(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is ATIXSSOQUAAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c21-15-5-3-14(4-6-15)20-24-19(29-25-20)9-10-23-18(27)12-28-16-7-1-13(2-8-16)11-17(22)26/h1-8H,9-12H2,(H2,22,26)(H,23,27).
What are the key properties of 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 414.85 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 86904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).