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

C15H16N2O2 — CID 166419875

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide
SMILESC=CC(=O)N(Cc1nc(C)c(C)o1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-4-15(18)17(13-8-6-5-7-9-13)10-14-16-11(2)12(3)19-14/h4-9H,1,10H2,2-3H3
InChIKeyZMJRTOOCHVWRSA-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.01
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide (PubChem CID 166419875) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide
PubChem CID166419875
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide
SMILESC=CC(=O)N(Cc1nc(C)c(C)o1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-4-15(18)17(13-8-6-5-7-9-13)10-14-16-11(2)12(3)19-14/h4-9H,1,10H2,2-3H3
InChIKeyZMJRTOOCHVWRSA-UHFFFAOYSA-N
XLogP3.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide (CID 166419875) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide is C=CC(=O)N(Cc1nc(C)c(C)o1)c1ccccc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide?
The InChIKey is ZMJRTOOCHVWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-15(18)17(13-8-6-5-7-9-13)10-14-16-11(2)12(3)19-14/h4-9H,1,10H2,2-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 166419875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).