N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide

C12H10N2O2 — CID 166414482

IUPACN-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1ccno1
InChIInChI=1S/C12H10N2O2/c1-2-12(15)14-10-6-4-3-5-9(10)11-7-8-13-16-11/h2-8H,1H2,(H,14,15)
InChIKeyOQUYXWGDMUBZKJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.47
Rot. Bonds3

About N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide

N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 166414482) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID166414482
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC NameN-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1ccno1
InChIInChI=1S/C12H10N2O2/c1-2-12(15)14-10-6-4-3-5-9(10)11-7-8-13-16-11/h2-8H,1H2,(H,14,15)
InChIKeyOQUYXWGDMUBZKJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.47
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-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (CID 166414482) is N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1-c1ccno1.
What is the InChIKey of N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is OQUYXWGDMUBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-12(15)14-10-6-4-3-5-9(10)11-7-8-13-16-11/h2-8H,1H2,(H,14,15).
What are the key properties of N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 214.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166414482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).