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

C12H12ClN3O — CID 2530282

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H12ClN3O/c13-10-4-2-1-3-9(10)12-16-15-11(17-12)7-14-8-5-6-8/h1-4,8,14H,5-7H2
InChIKeyMBDFYORTHJQNEZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.64
Rot. Bonds4

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 2530282) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID2530282
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H12ClN3O/c13-10-4-2-1-3-9(10)12-16-15-11(17-12)7-14-8-5-6-8/h1-4,8,14H,5-7H2
InChIKeyMBDFYORTHJQNEZ-UHFFFAOYSA-N
XLogP2.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 2530282) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Clc1ccccc1-c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is MBDFYORTHJQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-4-2-1-3-9(10)12-16-15-11(17-12)7-14-8-5-6-8/h1-4,8,14H,5-7H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 249.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 2530282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).