5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide

C19H16N2O2 — CID 121495352

IUPAC5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NC/C=C/c1ccccc1)c1cnoc1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-21-23-18(17)16-11-5-2-6-12-16/h1-12,14H,13H2,(H,20,22)/b10-7+
InChIKeyUOLCIRYWUJDZTM-JXMROGBWSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds5

About 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide

5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide (PubChem CID 121495352) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide
PubChem CID121495352
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide
SMILESO=C(NC/C=C/c1ccccc1)c1cnoc1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-21-23-18(17)16-11-5-2-6-12-16/h1-12,14H,13H2,(H,20,22)/b10-7+
InChIKeyUOLCIRYWUJDZTM-JXMROGBWSA-N
XLogP3.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide (CID 121495352) is 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide is O=C(NC/C=C/c1ccccc1)c1cnoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UOLCIRYWUJDZTM-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(20-13-7-10-15-8-3-1-4-9-15)17-14-21-23-18(17)16-11-5-2-6-12-16/h1-12,14H,13H2,(H,20,22)/b10-7+.
What are the key properties of 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide?
5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(E)-3-phenylprop-2-enyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 121495352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).