2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide

C17H11F2N3O3 — CID 52907899

IUPAC2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(F)c(F)c2)co1)c1ccccc1
InChIInChI=1S/C17H11F2N3O3/c18-12-7-6-11(8-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23)
InChIKeySMYPEUOANHSNGE-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.46
Rot. Bonds4

About 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide

2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 52907899) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID52907899
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(F)c(F)c2)co1)c1ccccc1
InChIInChI=1S/C17H11F2N3O3/c18-12-7-6-11(8-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23)
InChIKeySMYPEUOANHSNGE-UHFFFAOYSA-N
XLogP3.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
N-(3-chlorophenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788372
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788471
2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide (CID 52907899) is 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc(F)c(F)c2)co1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SMYPEUOANHSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c18-12-7-6-11(8-13(12)19)20-16(24)14-9-25-17(21-14)22-15(23)10-4-2-1-3-5-10/h1-9H,(H,20,24)(H,21,22,23).
What are the key properties of 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide?
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 343.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).