[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine

C12H12BrN3O — CID 61325661

IUPAC[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2ccccc2Br)n1)C1CC1
InChIInChI=1S/C12H12BrN3O/c13-9-4-2-1-3-8(9)12-15-11(16-17-12)10(14)7-5-6-7/h1-4,7,10H,5-6,14H2
InChIKeyAVUQWXBPDUEUCT-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.91
Rot. Bonds3

About [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine

[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (PubChem CID 61325661) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
PubChem CID61325661
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
SMILESNC(c1noc(-c2ccccc2Br)n1)C1CC1
InChIInChI=1S/C12H12BrN3O/c13-9-4-2-1-3-8(9)12-15-11(16-17-12)10(14)7-5-6-7/h1-4,7,10H,5-6,14H2
InChIKeyAVUQWXBPDUEUCT-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-bromo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 81117399
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325038
[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 107992711
cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324642
cyclopropyl-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62874824
[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine
CID 61325046
cyclopropyl-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61325253
cyclopropyl-(5-pyridazin-4-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 104672139
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324851
cyclopropyl-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 103121818
cyclopropyl-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106894093

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine (CID 61325661) is [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is NC(c1noc(-c2ccccc2Br)n1)C1CC1.
What is the InChIKey of [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
The InChIKey is AVUQWXBPDUEUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-4-2-1-3-8(9)12-15-11(16-17-12)10(14)7-5-6-7/h1-4,7,10H,5-6,14H2.
What are the key properties of [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine?
[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine has a molecular weight of 294.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-cyclopropylmethanamine is sourced from PubChem (CID 61325661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).