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

C18H13FN2O2 — CID 76902708

IUPAC(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22)/b9-8+
InChIKeyAPRICEAICJVLKB-CMDGGOBGSA-N
MW308.31 g/mol
LogP4.13
Rot. Bonds4

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

(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 76902708) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
PubChem CID76902708
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22)/b9-8+
InChIKeyAPRICEAICJVLKB-CMDGGOBGSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.13
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)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide (CID 76902708) is (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cccc(-c2ccno2)c1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is APRICEAICJVLKB-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-16-7-2-1-4-13(16)8-9-18(22)21-15-6-3-5-14(12-15)17-10-11-20-23-17/h1-12H,(H,21,22)/b9-8+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 308.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[3-(1,2-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 76902708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).