(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide

C14H14N2O2 — CID 890161

IUPAC(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N2O2/c1-10(8-12-6-4-3-5-7-12)14(17)15-13-9-11(2)18-16-13/h3-9H,1-2H3,(H,15,16,17)/b10-8+
InChIKeySQXZHUXAQCAIPK-CSKARUKUSA-N
MW242.28 g/mol
LogP3.03
Rot. Bonds3

About (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide

(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide (PubChem CID 890161) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide
PubChem CID890161
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H14N2O2/c1-10(8-12-6-4-3-5-7-12)14(17)15-13-9-11(2)18-16-13/h3-9H,1-2H3,(H,15,16,17)/b10-8+
InChIKeySQXZHUXAQCAIPK-CSKARUKUSA-N
XLogP3.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.03
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide (CID 890161) is (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide?
The InChIKey is SQXZHUXAQCAIPK-CSKARUKUSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(8-12-6-4-3-5-7-12)14(17)15-13-9-11(2)18-16-13/h3-9H,1-2H3,(H,15,16,17)/b10-8+.
What are the key properties of (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide?
(E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 890161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).