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

C11H12BrN3O — CID 167862956

IUPACN-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)c2ccc(Br)cc2)o1
InChIInChI=1S/C11H12BrN3O/c1-7(9-3-5-10(12)6-4-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyWJMAPMHAYHRTOR-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.31
Rot. Bonds3

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

N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 167862956) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID167862956
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NC(C)c2ccc(Br)cc2)o1
InChIInChI=1S/C11H12BrN3O/c1-7(9-3-5-10(12)6-4-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyWJMAPMHAYHRTOR-UHFFFAOYSA-N
XLogP3.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971273
5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625308
2-[1-(4-bromophenyl)ethylamino]-5-methyl-3,1-benzoxazin-4-one
CID 23444477
2-N-[1-(4-bromophenyl)ethyl]-1,3-benzoxazole-2,5-diamine
CID 79890343
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97210352
1-(4-bromophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 62255431
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 167862956) is N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NC(C)c2ccc(Br)cc2)o1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is WJMAPMHAYHRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7(9-3-5-10(12)6-4-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 282.14 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167862956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).