N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine

C13H13Cl2N3O — CID 55044397

IUPACN-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESClc1cc(Cl)cc(-c2nnc(CCNC3CC3)o2)c1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)7-9)13-18-17-12(19-13)3-4-16-11-1-2-11/h5-7,11,16H,1-4H2
InChIKeyWXIUVTQYZKZMPO-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.34
Rot. Bonds5

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

N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 55044397) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID55044397
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESClc1cc(Cl)cc(-c2nnc(CCNC3CC3)o2)c1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)7-9)13-18-17-12(19-13)3-4-16-11-1-2-11/h5-7,11,16H,1-4H2
InChIKeyWXIUVTQYZKZMPO-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 55044397) is N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is Clc1cc(Cl)cc(-c2nnc(CCNC3CC3)o2)c1.
What is the InChIKey of N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is WXIUVTQYZKZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)7-9)13-18-17-12(19-13)3-4-16-11-1-2-11/h5-7,11,16H,1-4H2.
What are the key properties of N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 298.17 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 55044397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).