5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide

C19H16F2N2O2 — CID 175334222

IUPAC5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide
SMILESCN(C(=O)C=CCC(F)(F)c1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H16F2N2O2/c1-23(14-8-3-2-4-9-14)17(24)12-7-13-19(20,21)18-22-15-10-5-6-11-16(15)25-18/h2-12H,13H2,1H3
InChIKeyGYZCSKZBDCZLOL-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.53
Rot. Bonds5

About 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide

5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide (PubChem CID 175334222) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide
PubChem CID175334222
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide
SMILESCN(C(=O)C=CCC(F)(F)c1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H16F2N2O2/c1-23(14-8-3-2-4-9-14)17(24)12-7-13-19(20,21)18-22-15-10-5-6-11-16(15)25-18/h2-12H,13H2,1H3
InChIKeyGYZCSKZBDCZLOL-UHFFFAOYSA-N
XLogP4.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
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 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide (CID 175334222) is 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide is CN(C(=O)C=CCC(F)(F)c1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide?
The InChIKey is GYZCSKZBDCZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-23(14-8-3-2-4-9-14)17(24)12-7-13-19(20,21)18-22-15-10-5-6-11-16(15)25-18/h2-12H,13H2,1H3.
What are the key properties of 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide?
5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide has a molecular weight of 342.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-5,5-difluoro-N-methyl-N-phenylpent-2-enamide is sourced from PubChem (CID 175334222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).