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

C16H9BrF2N2O2 — CID 1093728

IUPACN-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H9BrF2N2O2/c17-11-6-10(18)7-12(19)15(11)20-16(22)13-8-14(23-21-13)9-4-2-1-3-5-9/h1-8H,(H,20,22)
InChIKeyOLFHLDLXDKAWQD-UHFFFAOYSA-N
MW379.16 g/mol
LogP4.63
Rot. Bonds3

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

N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 1093728) has the molecular formula C16H9BrF2N2O2 and a molecular weight of 379.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID1093728
Molecular FormulaC16H9BrF2N2O2
Molecular Weight379.16 g/mol
Exact Mass377.98
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H9BrF2N2O2/c17-11-6-10(18)7-12(19)15(11)20-16(22)13-8-14(23-21-13)9-4-2-1-3-5-9/h1-8H,(H,20,22)
InChIKeyOLFHLDLXDKAWQD-UHFFFAOYSA-N
XLogP4.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 1093728) is N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OLFHLDLXDKAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2O2/c17-11-6-10(18)7-12(19)15(11)20-16(22)13-8-14(23-21-13)9-4-2-1-3-5-9/h1-8H,(H,20,22).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 379.16 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).