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

C20H19FN2O2 — CID 45168383

IUPAC(E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C20H19FN2O2/c21-17-9-6-16(7-10-17)12-18-13-19(25-23-18)14-22-20(24)11-8-15-4-2-1-3-5-15/h1-11,19H,12-14H2,(H,22,24)/b11-8+
InChIKeyLISKAGKRFFJVBG-DHZHZOJOSA-N
MW338.38 g/mol
LogP3.34
Rot. Bonds6

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

(E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 45168383) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide
PubChem CID45168383
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name(E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C20H19FN2O2/c21-17-9-6-16(7-10-17)12-18-13-19(25-23-18)14-22-20(24)11-8-15-4-2-1-3-5-15/h1-11,19H,12-14H2,(H,22,24)/b11-8+
InChIKeyLISKAGKRFFJVBG-DHZHZOJOSA-N
XLogP3.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.34
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 (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide (CID 45168383) is (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is LISKAGKRFFJVBG-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-9-6-16(7-10-17)12-18-13-19(25-23-18)14-22-20(24)11-8-15-4-2-1-3-5-15/h1-11,19H,12-14H2,(H,22,24)/b11-8+.
What are the key properties of (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 338.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 45168383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).