N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C13H17BrN4O — CID 106970746

IUPACN-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccccc2Br)o1
InChIInChI=1S/C13H17BrN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-6-4-5-7-11(10)14/h4-7,9,15H,8H2,1-3H3
InChIKeyAANSHPMWKMESOF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.75
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970746) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970746
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(N(C)Cc2ccccc2Br)o1
InChIInChI=1S/C13H17BrN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-6-4-5-7-11(10)14/h4-7,9,15H,8H2,1-3H3
InChIKeyAANSHPMWKMESOF-UHFFFAOYSA-N
XLogP2.75
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970855
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436798
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
CID 106965470
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
1-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164268
N,N-diethyl-2-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106959465
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79893264
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
(1R)-1-(1,3-benzoxazol-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 97260551

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106970746) is N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(N(C)Cc2ccccc2Br)o1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AANSHPMWKMESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9(15-2)12-16-17-13(19-12)18(3)8-10-6-4-5-7-11(10)14/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).