N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C11H13BrN4O — CID 106968069

IUPACN-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C11H13BrN4O/c1-2-13-7-10-15-16-11(17-10)14-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,14,16)
InChIKeyUJXWCHISJRWFKO-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.69
Rot. Bonds5

About N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968069) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968069
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC NameN-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(Nc2ccccc2Br)o1
InChIInChI=1S/C11H13BrN4O/c1-2-13-7-10-15-16-11(17-10)14-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,14,16)
InChIKeyUJXWCHISJRWFKO-UHFFFAOYSA-N
XLogP2.69
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968057
N-(2-bromophenyl)-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106956428
N-(2-bromophenyl)-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106956430
N-(2-bromo-5-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106963881
N-(2-bromo-4-fluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968419
2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436573
5-(ethylaminomethyl)-N-(4-fluoro-2-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 106962829
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
1-N-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106969433
N-(2-bromophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968064
N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967012
N-(2,3-dihydro-1H-inden-2-yl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 107856398

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106968069) is N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(Nc2ccccc2Br)o1.
What is the InChIKey of N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UJXWCHISJRWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-13-7-10-15-16-11(17-10)14-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,14,16).
What are the key properties of N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 297.16 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).