2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine

C14H17N3O — CID 63347141

IUPAC2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
SMILESNC(Cc1nc(Cc2ccccc2)no1)C1CC1
InChIInChI=1S/C14H17N3O/c15-12(11-6-7-11)9-14-16-13(17-18-14)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2
InChIKeyZUXPPSKMTHODGG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.94
Rot. Bonds5

About 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine

2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine (PubChem CID 63347141) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
PubChem CID63347141
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine
SMILESNC(Cc1nc(Cc2ccccc2)no1)C1CC1
InChIInChI=1S/C14H17N3O/c15-12(11-6-7-11)9-14-16-13(17-18-14)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2
InChIKeyZUXPPSKMTHODGG-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352306
1-cyclopropyl-2-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 64560082
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63892201
1-phenyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62551888
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861
1-cyclopropyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 136984473
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 79845957
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine?
The IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine (CID 63347141) is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine?
The canonical SMILES for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine is NC(Cc1nc(Cc2ccccc2)no1)C1CC1.
What is the InChIKey of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine?
The InChIKey is ZUXPPSKMTHODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12(11-6-7-11)9-14-16-13(17-18-14)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2.
What are the key properties of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine?
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanamine is sourced from PubChem (CID 63347141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).