1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

C12H14N4O — CID 64667280

IUPAC1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)(c1nc(-c2ccncc2)no1)C1CC1
InChIInChI=1S/C12H14N4O/c1-12(13,9-2-3-9)11-15-10(16-17-11)8-4-6-14-7-5-8/h4-7,9H,2-3,13H2,1H3
InChIKeyUHUOFLDCMDOTFF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.72
Rot. Bonds3

About 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine

1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 64667280) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID64667280
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)(c1nc(-c2ccncc2)no1)C1CC1
InChIInChI=1S/C12H14N4O/c1-12(13,9-2-3-9)11-15-10(16-17-11)8-4-6-14-7-5-8/h4-7,9H,2-3,13H2,1H3
InChIKeyUHUOFLDCMDOTFF-UHFFFAOYSA-N
XLogP1.72
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667279
1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686
1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64668290
1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106789559
1-cyclopropyl-1-pyridin-4-ylethanamine
CID 83826672
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684
5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632024
1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107925091
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119573306
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267111

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 64667280) is 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(N)(c1nc(-c2ccncc2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is UHUOFLDCMDOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(13,9-2-3-9)11-15-10(16-17-11)8-4-6-14-7-5-8/h4-7,9H,2-3,13H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine?
1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 230.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 64667280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).