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

C17H14BrN3O4 — CID 43976109

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H14BrN3O4/c1-23-13-7-2-3-8-14(13)24-10-15(22)19-17-21-20-16(25-17)11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyYMSDIGCOGVALKO-UHFFFAOYSA-N
MW404.22 g/mol
LogP3.53
Rot. Bonds6

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

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 43976109) has the molecular formula C17H14BrN3O4 and a molecular weight of 404.22 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID43976109
Molecular FormulaC17H14BrN3O4
Molecular Weight404.22 g/mol
Exact Mass403.02
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H14BrN3O4/c1-23-13-7-2-3-8-14(13)24-10-15(22)19-17-21-20-16(25-17)11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyYMSDIGCOGVALKO-UHFFFAOYSA-N
XLogP3.53
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 43972062
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 3585457
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 43976109) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YMSDIGCOGVALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O4/c1-23-13-7-2-3-8-14(13)24-10-15(22)19-17-21-20-16(25-17)11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 404.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 43976109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).