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

C12H14N4O — CID 64667279

IUPAC1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)(c1nc(-c2cccnc2)no1)C1CC1
InChIInChI=1S/C12H14N4O/c1-12(13,9-4-5-9)11-15-10(16-17-11)8-3-2-6-14-7-8/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyNSFMTPCOZWKZSY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.72
Rot. Bonds3

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

1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 64667279) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID64667279
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)(c1nc(-c2cccnc2)no1)C1CC1
InChIInChI=1S/C12H14N4O/c1-12(13,9-4-5-9)11-15-10(16-17-11)8-3-2-6-14-7-8/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyNSFMTPCOZWKZSY-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-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667280
N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62817975
1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)hydrazine
CID 47003158
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
1-cyclopropyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106789559
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 64667279) is 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(N)(c1nc(-c2cccnc2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is NSFMTPCOZWKZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(13,9-4-5-9)11-15-10(16-17-11)8-3-2-6-14-7-8/h2-3,6-7,9H,4-5,13H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
1-cyclopropyl-1-(3-pyridin-3-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-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 64667279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).