2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide

C21H20F2N2O2 — CID 53382897

IUPAC2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1
InChIInChI=1S/C21H20F2N2O2/c1-2-3-7-13-24-20(26)18-19(14-9-5-4-6-10-14)27-21(25-18)17-15(22)11-8-12-16(17)23/h4-6,8-12H,2-3,7,13H2,1H3,(H,24,26)
InChIKeyVMQYQVBVFMTVNT-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.21
Rot. Bonds7

About 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 53382897) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID53382897
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCCNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1
InChIInChI=1S/C21H20F2N2O2/c1-2-3-7-13-24-20(26)18-19(14-9-5-4-6-10-14)27-21(25-18)17-15(22)11-8-12-16(17)23/h4-6,8-12H,2-3,7,13H2,1H3,(H,24,26)
InChIKeyVMQYQVBVFMTVNT-UHFFFAOYSA-N
XLogP5.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide (CID 53382897) is 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide is CCCCCNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is VMQYQVBVFMTVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-2-3-7-13-24-20(26)18-19(14-9-5-4-6-10-14)27-21(25-18)17-15(22)11-8-12-16(17)23/h4-6,8-12H,2-3,7,13H2,1H3,(H,24,26).
What are the key properties of 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53382897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).