(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide

C19H16N2O2 — CID 56930626

IUPAC(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2coc(NC(=O)/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-7-10-16(11-8-14)17-13-23-19(20-17)21-18(22)12-9-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+
InChIKeyXTKFQAODDKEDLR-FMIVXFBMSA-N
MW304.35 g/mol
LogP4.30
Rot. Bonds4

About (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide

(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 56930626) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
PubChem CID56930626
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1ccc(-c2coc(NC(=O)/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O2/c1-14-7-10-16(11-8-14)17-13-23-19(20-17)21-18(22)12-9-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+
InChIKeyXTKFQAODDKEDLR-FMIVXFBMSA-N
XLogP4.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.30
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-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide (CID 56930626) is (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide is Cc1ccc(-c2coc(NC(=O)/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is XTKFQAODDKEDLR-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-7-10-16(11-8-14)17-13-23-19(20-17)21-18(22)12-9-15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,22)/b12-9+.
What are the key properties of (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide?
(E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 56930626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).