1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H15N3O — CID 63080701

IUPAC1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C13H15N3O/c1-9(14)11-15-12(16-17-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3
InChIKeyBHHFFGOAIXJOBS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds3

About 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 63080701) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID63080701
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C13H15N3O/c1-9(14)11-15-12(16-17-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3
InChIKeyBHHFFGOAIXJOBS-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
(1S,2S)-2-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900094
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277
(2R)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915702
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565318
(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915705
3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 55181154
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
(1R)-3-methylsulfanyl-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909434
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 63080701) is 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(C2(c3ccccc3)CC2)no1.
What is the InChIKey of 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is BHHFFGOAIXJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(14)11-15-12(16-17-11)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3.
What are the key properties of 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 63080701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).