2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C18H17N3O5 — CID 19328687

IUPAC2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)cc1OC
InChIInChI=1S/C18H17N3O5/c1-23-14-8-5-12(9-15(14)24-2)18-20-17(21-26-18)11-3-6-13(7-4-11)25-10-16(19)22/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyGZTIQKSKIZMZPO-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.28
Rot. Bonds7

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

2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328687) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328687
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1ccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)cc1OC
InChIInChI=1S/C18H17N3O5/c1-23-14-8-5-12(9-15(14)24-2)18-20-17(21-26-18)11-3-6-13(7-4-11)25-10-16(19)22/h3-9H,10H2,1-2H3,(H2,19,22)
InChIKeyGZTIQKSKIZMZPO-UHFFFAOYSA-N
XLogP2.28
TPSA109.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678802
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648
2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
CID 167975391
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328687) is 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is COc1ccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)cc1OC.
What is the InChIKey of 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is GZTIQKSKIZMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-23-14-8-5-12(9-15(14)24-2)18-20-17(21-26-18)11-3-6-13(7-4-11)25-10-16(19)22/h3-9H,10H2,1-2H3,(H2,19,22).
What are the key properties of 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 355.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).