N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C12H11BrClN3O — CID 114026356

IUPACN-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)c(-c2nc(CNC3CC3)no2)c1
InChIInChI=1S/C12H11BrClN3O/c13-10-4-1-7(14)5-9(10)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyOCFDNRYTFKWTLD-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.40
Rot. Bonds4

About N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 114026356) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID114026356
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC NameN-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)c(-c2nc(CNC3CC3)no2)c1
InChIInChI=1S/C12H11BrClN3O/c13-10-4-1-7(14)5-9(10)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2
InChIKeyOCFDNRYTFKWTLD-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341595
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577
N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065529
5-[3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966609
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62343764
N-[[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341594
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117
4-(2-bromo-5-chlorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 86657720

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 114026356) is N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is Clc1ccc(Br)c(-c2nc(CNC3CC3)no2)c1.
What is the InChIKey of N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is OCFDNRYTFKWTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c13-10-4-1-7(14)5-9(10)12-16-11(17-18-12)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2.
What are the key properties of N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 328.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114026356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).