1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

C17H14BrN3O2 — CID 99624007

IUPAC1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3
InChIKeyRZQFJIQVUZVAQF-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.31
Rot. Bonds5

About 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (PubChem CID 99624007) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
PubChem CID99624007
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C17H14BrN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3
InChIKeyRZQFJIQVUZVAQF-UHFFFAOYSA-N
XLogP4.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
CID 15990135
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
CID 61499088
3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
CID 106292907
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
CID 83705193
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (CID 99624007) is 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is CC(=O)c1cccc(NCc2nnc(-c3ccccc3Br)o2)c1.
What is the InChIKey of 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The InChIKey is RZQFJIQVUZVAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3.
What are the key properties of 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone has a molecular weight of 372.22 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is sourced from PubChem (CID 99624007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).