5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine

C11H15N3O2 — CID 122673479

IUPAC5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESC=CCOC1NCC(c2ncco2)=CC1N
InChIInChI=1S/C11H15N3O2/c1-2-4-15-11-9(12)6-8(7-14-11)10-13-3-5-16-10/h2-3,5-6,9,11,14H,1,4,7,12H2
InChIKeyMONORAAAYPKCPQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds4

About 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine

5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 122673479) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID122673479
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
SMILESC=CCOC1NCC(c2ncco2)=CC1N
InChIInChI=1S/C11H15N3O2/c1-2-4-15-11-9(12)6-8(7-14-11)10-13-3-5-16-10/h2-3,5-6,9,11,14H,1,4,7,12H2
InChIKeyMONORAAAYPKCPQ-UHFFFAOYSA-N
XLogP0.52
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine (CID 122673479) is 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine is C=CCOC1NCC(c2ncco2)=CC1N.
What is the InChIKey of 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is MONORAAAYPKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-4-15-11-9(12)6-8(7-14-11)10-13-3-5-16-10/h2-3,5-6,9,11,14H,1,4,7,12H2.
What are the key properties of 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine?
5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 221.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-yl)-2-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 122673479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).