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

C17H17N3O — CID 62137227

IUPACN-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(Cc3nnc(CNC4CC4)o3)cccc2c1
InChIInChI=1S/C17H17N3O/c1-2-7-15-12(4-1)5-3-6-13(15)10-16-19-20-17(21-16)11-18-14-8-9-14/h1-7,14,18H,8-11H2
InChIKeyQBFBWFXEAVXPLZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.07
Rot. Bonds5

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

N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62137227) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62137227
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESc1ccc2c(Cc3nnc(CNC4CC4)o3)cccc2c1
InChIInChI=1S/C17H17N3O/c1-2-7-15-12(4-1)5-3-6-13(15)10-16-19-20-17(21-16)11-18-14-8-9-14/h1-7,14,18H,8-11H2
InChIKeyQBFBWFXEAVXPLZ-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137769
N-[[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 79206209
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619454
N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62762574
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[[5-(2,3-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62661640
1-ethyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 60657910

Frequently Asked Questions

What is the IUPAC name of N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62137227) is N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is c1ccc2c(Cc3nnc(CNC4CC4)o3)cccc2c1.
What is the InChIKey of N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is QBFBWFXEAVXPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-7-15-12(4-1)5-3-6-13(15)10-16-19-20-17(21-16)11-18-14-8-9-14/h1-7,14,18H,8-11H2.
What are the key properties of N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 279.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62137227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).