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

C17H12F2N2O3 — CID 110680924

IUPACN-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H12F2N2O3/c1-21-15(13(17(23)24-21)10-6-3-2-4-7-10)16(22)20-14-11(18)8-5-9-12(14)19/h2-9H,1H3,(H,20,22)
InChIKeyPYWOKWKILJLFIC-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.18
Rot. Bonds3

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

N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680924) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680924
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC NameN-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H12F2N2O3/c1-21-15(13(17(23)24-21)10-6-3-2-4-7-10)16(22)20-14-11(18)8-5-9-12(14)19/h2-9H,1H3,(H,20,22)
InChIKeyPYWOKWKILJLFIC-UHFFFAOYSA-N
XLogP3.18
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680924) is N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is PYWOKWKILJLFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-21-15(13(17(23)24-21)10-6-3-2-4-7-10)16(22)20-14-11(18)8-5-9-12(14)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).