2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

C21H15BrN4O3 — CID 30331603

IUPAC2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C21H15BrN4O3/c22-15-5-7-16(8-6-15)28-13-19(27)24-18-4-2-1-3-17(18)21-25-20(26-29-21)14-9-11-23-12-10-14/h1-12H,13H2,(H,24,27)
InChIKeyVAYMVXFVFBRJPL-UHFFFAOYSA-N
MW451.28 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 30331603) has the molecular formula C21H15BrN4O3 and a molecular weight of 451.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID30331603
Molecular FormulaC21H15BrN4O3
Molecular Weight451.28 g/mol
Exact Mass450.03
IUPAC Name2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C21H15BrN4O3/c22-15-5-7-16(8-6-15)28-13-19(27)24-18-4-2-1-3-17(18)21-25-20(26-29-21)14-9-11-23-12-10-14/h1-12H,13H2,(H,24,27)
InChIKeyVAYMVXFVFBRJPL-UHFFFAOYSA-N
XLogP4.58
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331599
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2-(3,5-dimethylphenoxy)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331365
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 30331853
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331126
2-naphthalen-2-yloxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331909
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 30331766
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331308

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 30331603) is 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is VAYMVXFVFBRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O3/c22-15-5-7-16(8-6-15)28-13-19(27)24-18-4-2-1-3-17(18)21-25-20(26-29-21)14-9-11-23-12-10-14/h1-12H,13H2,(H,24,27).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 451.28 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 30331603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).