N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

C17H14BrN3O3 — CID 46420592

IUPACN-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)ccc1Br
InChIInChI=1S/C17H14BrN3O3/c1-11-9-13(7-8-14(11)18)19-15(22)10-21-17(23)24-16(20-21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDKWLQWFMOTUAIV-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.21
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 46420592) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID46420592
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)ccc1Br
InChIInChI=1S/C17H14BrN3O3/c1-11-9-13(7-8-14(11)18)19-15(22)10-21-17(23)24-16(20-21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyDKWLQWFMOTUAIV-UHFFFAOYSA-N
XLogP3.21
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27040368
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 154800755
N-(4-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27039883
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 9426428

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 46420592) is N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is DKWLQWFMOTUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c1-11-9-13(7-8-14(11)18)19-15(22)10-21-17(23)24-16(20-21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 388.22 g/mol, XLogP of 3.21, 4 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-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 46420592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).