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

C14H17N3O2 — CID 60702922

IUPACN-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)14-17-16-13(19-14)9-15-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3
InChIKeyPHJOTMVUSWYWKW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.39
Rot. Bonds6

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

N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 60702922) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID60702922
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCCOc1ccc(-c2nnc(CNC3CC3)o2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)14-17-16-13(19-14)9-15-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3
InChIKeyPHJOTMVUSWYWKW-UHFFFAOYSA-N
XLogP2.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159231
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
4-ethoxy-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 78792997
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137768
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62136870
N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62139067
(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314021
N-[[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 63189771
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 60702922) is N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is CCOc1ccc(-c2nnc(CNC3CC3)o2)cc1.
What is the InChIKey of N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is PHJOTMVUSWYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-18-12-7-3-10(4-8-12)14-17-16-13(19-14)9-15-11-5-6-11/h3-4,7-8,11,15H,2,5-6,9H2,1H3.
What are the key properties of N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 259.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60702922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).