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

C17H14BrN3O3 — CID 7556162

IUPACN-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)ccc1Br
InChIInChI=1S/C17H14BrN3O3/c1-11-8-13(4-7-15(11)18)20-16(22)9-23-14-5-2-12(3-6-14)17-21-19-10-24-17/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyOCVCACNIHSAJHP-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.83
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 7556162) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID7556162
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)ccc1Br
InChIInChI=1S/C17H14BrN3O3/c1-11-8-13(4-7-15(11)18)20-16(22)9-23-14-5-2-12(3-6-14)17-21-19-10-24-17/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyOCVCACNIHSAJHP-UHFFFAOYSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
N-(3-methylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 9354162
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
N-(4-bromo-3-methylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709037
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556246

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 7556162) is N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is OCVCACNIHSAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-11-8-13(4-7-15(11)18)20-16(22)9-23-14-5-2-12(3-6-14)17-21-19-10-24-17/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 388.22 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 7556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).