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

C14H15BrFN3O — CID 62137997

IUPACN-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFc1ccc(Br)c(-c2nnc(CCCNC3CC3)o2)c1
InChIInChI=1S/C14H15BrFN3O/c15-12-6-3-9(16)8-11(12)14-19-18-13(20-14)2-1-7-17-10-4-5-10/h3,6,8,10,17H,1-2,4-5,7H2
InChIKeyNLHOAXCPXMGMJP-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.32
Rot. Bonds6

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

N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 62137997) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID62137997
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC NameN-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFc1ccc(Br)c(-c2nnc(CCCNC3CC3)o2)c1
InChIInChI=1S/C14H15BrFN3O/c15-12-6-3-9(16)8-11(12)14-19-18-13(20-14)2-1-7-17-10-4-5-10/h3,6,8,10,17H,1-2,4-5,7H2
InChIKeyNLHOAXCPXMGMJP-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138540
N-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139131
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
N-[2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044350
N-[3-[5-(2-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 106863632
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138175
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138908
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107924211

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 62137997) is N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is Fc1ccc(Br)c(-c2nnc(CCCNC3CC3)o2)c1.
What is the InChIKey of N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is NLHOAXCPXMGMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c15-12-6-3-9(16)8-11(12)14-19-18-13(20-14)2-1-7-17-10-4-5-10/h3,6,8,10,17H,1-2,4-5,7H2.
What are the key properties of N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 340.20 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 62137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).