(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine

C13H15N3O — CID 166761000

IUPAC(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
SMILESC[C@H](N)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C13H15N3O/c1-8(14)13-7-12(16-17-13)10-4-5-15-11(6-10)9-2-3-9/h4-9H,2-3,14H2,1H3/t8-/m0/s1
InChIKeyDJCJSELIDSUNMU-QMMMGPOBSA-N
MW229.28 g/mol
LogP2.63
Rot. Bonds3

About (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine

(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 166761000) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID166761000
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
SMILESC[C@H](N)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C13H15N3O/c1-8(14)13-7-12(16-17-13)10-4-5-15-11(6-10)9-2-3-9/h4-9H,2-3,14H2,1H3/t8-/m0/s1
InChIKeyDJCJSELIDSUNMU-QMMMGPOBSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine (CID 166761000) is (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine is C[C@H](N)c1cc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is DJCJSELIDSUNMU-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8(14)13-7-12(16-17-13)10-4-5-15-11(6-10)9-2-3-9/h4-9H,2-3,14H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine?
(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 166761000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).