(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide

C13H12N2O2 — CID 14321974

IUPAC(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1-c1ncco1
InChIInChI=1S/C13H12N2O2/c1-2-5-12(16)15-11-7-4-3-6-10(11)13-14-8-9-17-13/h2-9H,1H3,(H,15,16)/b5-2+
InChIKeyMLGBKJIFUYMPHS-GORDUTHDSA-N
MW228.25 g/mol
LogP2.86
Rot. Bonds3

About (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide

(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide (PubChem CID 14321974) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide
PubChem CID14321974
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccccc1-c1ncco1
InChIInChI=1S/C13H12N2O2/c1-2-5-12(16)15-11-7-4-3-6-10(11)13-14-8-9-17-13/h2-9H,1H3,(H,15,16)/b5-2+
InChIKeyMLGBKJIFUYMPHS-GORDUTHDSA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.86
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 (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide (CID 14321974) is (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1ccccc1-c1ncco1.
What is the InChIKey of (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide?
The InChIKey is MLGBKJIFUYMPHS-GORDUTHDSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-5-12(16)15-11-7-4-3-6-10(11)13-14-8-9-17-13/h2-9H,1H3,(H,15,16)/b5-2+.
What are the key properties of (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide?
(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide is sourced from PubChem (CID 14321974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).