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

C13H14BrN3O — CID 62137407

IUPACN-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C13H14BrN3O/c14-10-3-1-9(2-4-10)7-12-16-17-13(18-12)8-15-11-5-6-11/h1-4,11,15H,5-8H2
InChIKeyAZXFQLIHOMLLOV-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.67
Rot. Bonds5

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

N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62137407) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62137407
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cc2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C13H14BrN3O/c14-10-3-1-9(2-4-10)7-12-16-17-13(18-12)8-15-11-5-6-11/h1-4,11,15H,5-8H2
InChIKeyAZXFQLIHOMLLOV-UHFFFAOYSA-N
XLogP2.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62137407) is N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Brc1ccc(Cc2nnc(CNC3CC3)o2)cc1.
What is the InChIKey of N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AZXFQLIHOMLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-3-1-9(2-4-10)7-12-16-17-13(18-12)8-15-11-5-6-11/h1-4,11,15H,5-8H2.
What are the key properties of N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 308.18 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62137407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).