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

C17H15N3O3 — CID 19328474

IUPAC2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1cccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)c1
InChIInChI=1S/C17H15N3O3/c1-11-3-2-4-13(9-11)17-19-16(20-23-17)12-5-7-14(8-6-12)22-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyQPILIQMMEUFWLM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.58
Rot. Bonds5

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

2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328474) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328474
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1cccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)c1
InChIInChI=1S/C17H15N3O3/c1-11-3-2-4-13(9-11)17-19-16(20-23-17)12-5-7-14(8-6-12)22-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyQPILIQMMEUFWLM-UHFFFAOYSA-N
XLogP2.58
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
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-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-[4-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103317
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328648
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328474) is 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1cccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)c1.
What is the InChIKey of 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is QPILIQMMEUFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-3-2-4-13(9-11)17-19-16(20-23-17)12-5-7-14(8-6-12)22-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).