N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline

C15H11BrClN3O — CID 43236759

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
SMILESClc1ccccc1NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H11BrClN3O/c16-11-6-2-1-5-10(11)15-20-19-14(21-15)9-18-13-8-4-3-7-12(13)17/h1-8,18H,9H2
InChIKeyJQSZYEMLFYFZFD-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.76
Rot. Bonds4

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

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline (PubChem CID 43236759) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
PubChem CID43236759
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
SMILESClc1ccccc1NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H11BrClN3O/c16-11-6-2-1-5-10(11)15-20-19-14(21-15)9-18-13-8-4-3-7-12(13)17/h1-8,18H,9H2
InChIKeyJQSZYEMLFYFZFD-UHFFFAOYSA-N
XLogP4.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 99698939
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
2-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652370
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
CID 106895821
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
CID 65106277
2-(2-bromophenyl)-5-[(3-chloro-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30765253
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
CID 110652197
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1114537
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
CID 82725575

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline (CID 43236759) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline is Clc1ccccc1NCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline?
The InChIKey is JQSZYEMLFYFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c16-11-6-2-1-5-10(11)15-20-19-14(21-15)9-18-13-8-4-3-7-12(13)17/h1-8,18H,9H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline has a molecular weight of 364.63 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline is sourced from PubChem (CID 43236759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).