(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C10H10BrN3O — CID 43559286

IUPAC(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)cc2)no1
InChIInChI=1S/C10H10BrN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyDTWJPILVFREZLM-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.19
Rot. Bonds2

About (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559286) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559286
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)cc2)no1
InChIInChI=1S/C10H10BrN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKeyDTWJPILVFREZLM-UHFFFAOYSA-N
XLogP2.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285
4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
CID 43559235
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249
(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 102843130
(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559660
1-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326439
(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 60874665
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
[3-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115351030
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 43559286) is (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is Cc1nc(C(N)c2ccc(Br)cc2)no1.
What is the InChIKey of (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is DTWJPILVFREZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3.
What are the key properties of (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 268.11 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).