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

C13H14N2O2 — CID 164898687

IUPACN-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C13H14N2O2/c1-2-12(16)15-9-10-3-5-11(6-4-10)13-14-7-8-17-13/h2-6H,1,7-9H2,(H,15,16)
InChIKeyRRXAVSVNNOHDGL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds4

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

N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide (PubChem CID 164898687) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide
PubChem CID164898687
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C13H14N2O2/c1-2-12(16)15-9-10-3-5-11(6-4-10)13-14-7-8-17-13/h2-6H,1,7-9H2,(H,15,16)
InChIKeyRRXAVSVNNOHDGL-UHFFFAOYSA-N
XLogP1.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
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-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide (CID 164898687) is N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide?
The InChIKey is RRXAVSVNNOHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-12(16)15-9-10-3-5-11(6-4-10)13-14-7-8-17-13/h2-6H,1,7-9H2,(H,15,16).
What are the key properties of N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide?
N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 164898687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).