N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide

C13H12N2O2 — CID 166405051

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C13H12N2O2/c1-3-13(16)15-11-6-4-10(5-7-11)12-8-14-9(2)17-12/h3-8H,1H2,2H3,(H,15,16)
InChIKeyXPTMJJWIPULOSR-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.77
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 166405051) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID166405051
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C13H12N2O2/c1-3-13(16)15-11-6-4-10(5-7-11)12-8-14-9(2)17-12/h3-8H,1H2,2H3,(H,15,16)
InChIKeyXPTMJJWIPULOSR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 166405051) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2cnc(C)o2)cc1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is XPTMJJWIPULOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-3-13(16)15-11-6-4-10(5-7-11)12-8-14-9(2)17-12/h3-8H,1H2,2H3,(H,15,16).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).