N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide

C11H14N2O2 — CID 166415796

IUPACN-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cc(C2CC2)on1
InChIInChI=1S/C11H14N2O2/c1-2-11(14)12-6-5-9-7-10(15-13-9)8-3-4-8/h2,7-8H,1,3-6H2,(H,12,14)
InChIKeyUWTAPZJLQLUYOR-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide

N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide (PubChem CID 166415796) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide
PubChem CID166415796
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1cc(C2CC2)on1
InChIInChI=1S/C11H14N2O2/c1-2-11(14)12-6-5-9-7-10(15-13-9)8-3-4-8/h2,7-8H,1,3-6H2,(H,12,14)
InChIKeyUWTAPZJLQLUYOR-UHFFFAOYSA-N
XLogP1.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide (CID 166415796) is N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide is C=CC(=O)NCCc1cc(C2CC2)on1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide?
The InChIKey is UWTAPZJLQLUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-11(14)12-6-5-9-7-10(15-13-9)8-3-4-8/h2,7-8H,1,3-6H2,(H,12,14).
What are the key properties of N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide?
N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide has a molecular weight of 206.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2-oxazol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166415796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).