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

C13H14ClN3O — CID 62137769

IUPACN-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cc1nnc(CNC2CC2)o1
InChIInChI=1S/C13H14ClN3O/c14-11-4-2-1-3-9(11)7-12-16-17-13(18-12)8-15-10-5-6-10/h1-4,10,15H,5-8H2
InChIKeyGRYWTTQVNXBFSM-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.57
Rot. Bonds5

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

N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62137769) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62137769
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cc1nnc(CNC2CC2)o1
InChIInChI=1S/C13H14ClN3O/c14-11-4-2-1-3-9(11)7-12-16-17-13(18-12)8-15-10-5-6-10/h1-4,10,15H,5-8H2
InChIKeyGRYWTTQVNXBFSM-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137227
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 55039546
N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 79206209
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938
N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 55178632
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
N-[[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 80641417
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62137769) is N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Clc1ccccc1Cc1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GRYWTTQVNXBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-4-2-1-3-9(11)7-12-16-17-13(18-12)8-15-10-5-6-10/h1-4,10,15H,5-8H2.
What are the key properties of N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 263.73 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62137769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).