2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine

C13H23N3O — CID 115082192

IUPAC2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCCN1CCC(c2nc(C(C)CN)co2)CC1
InChIInChI=1S/C13H23N3O/c1-3-16-6-4-11(5-7-16)13-15-12(9-17-13)10(2)8-14/h9-11H,3-8,14H2,1-2H3
InChIKeyBOVBJKZHRVIKKH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine

2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115082192) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115082192
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCCN1CCC(c2nc(C(C)CN)co2)CC1
InChIInChI=1S/C13H23N3O/c1-3-16-6-4-11(5-7-16)13-15-12(9-17-13)10(2)8-14/h9-11H,3-8,14H2,1-2H3
InChIKeyBOVBJKZHRVIKKH-UHFFFAOYSA-N
XLogP1.94
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine (CID 115082192) is 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine is CCN1CCC(c2nc(C(C)CN)co2)CC1.
What is the InChIKey of 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is BOVBJKZHRVIKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-6-4-11(5-7-16)13-15-12(9-17-13)10(2)8-14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115082192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).