N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide

C24H19F2N3O3 — CID 57330319

IUPACN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C24H19F2N3O3/c1-13-7-8-14(21-22(30)24(2,3)32-29-21)11-16(13)15-9-10-19(27-12-15)28-23(31)20-17(25)5-4-6-18(20)26/h4-12H,1-3H3,(H,27,28,31)
InChIKeyBBFUAFQFQUCONY-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.67
Rot. Bonds4

About N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide

N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 57330319) has the molecular formula C24H19F2N3O3 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID57330319
Molecular FormulaC24H19F2N3O3
Molecular Weight435.43 g/mol
Exact Mass435.14
IUPAC NameN-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C24H19F2N3O3/c1-13-7-8-14(21-22(30)24(2,3)32-29-21)11-16(13)15-9-10-19(27-12-15)28-23(31)20-17(25)5-4-6-18(20)26/h4-12H,1-3H3,(H,27,28,31)
InChIKeyBBFUAFQFQUCONY-UHFFFAOYSA-N
XLogP4.67
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

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3-Fluoro-N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-benzamide
CID 44157092
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3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]benzamide
CID 54588913
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazine-2-yl)-2,6-difluorobenzamide
CID 57330317
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-ethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 57330320

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide (CID 57330319) is N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is BBFUAFQFQUCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3/c1-13-7-8-14(21-22(30)24(2,3)32-29-21)11-16(13)15-9-10-19(27-12-15)28-23(31)20-17(25)5-4-6-18(20)26/h4-12H,1-3H3,(H,27,28,31).
What are the key properties of N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 435.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 57330319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).