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

C18H16ClN3O4 — CID 2990732

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H16ClN3O4/c1-24-14-4-2-3-5-15(14)25-11-16(23)20-10-17-21-18(22-26-17)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyFMAANAOYRDRPMU-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.09
Rot. Bonds7

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 2990732) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID2990732
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H16ClN3O4/c1-24-14-4-2-3-5-15(14)25-11-16(23)20-10-17-21-18(22-26-17)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyFMAANAOYRDRPMU-UHFFFAOYSA-N
XLogP3.09
TPSA86.48 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 2990732) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is FMAANAOYRDRPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-24-14-4-2-3-5-15(14)25-11-16(23)20-10-17-21-18(22-26-17)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 373.80 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2990732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).