2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide

C22H15F2N3O2 — CID 24775533

IUPAC2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)cnc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C22H15F2N3O2/c1-13-10-16(27-21(28)19-17(23)6-3-7-18(19)24)12-26-20(13)14-4-2-5-15(11-14)22-25-8-9-29-22/h2-12H,1H3,(H,27,28)
InChIKeyDBOPWJGLVCGNNG-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.24
Rot. Bonds4

About 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide

2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide (PubChem CID 24775533) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
PubChem CID24775533
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)cnc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C22H15F2N3O2/c1-13-10-16(27-21(28)19-17(23)6-3-7-18(19)24)12-26-20(13)14-4-2-5-15(11-14)22-25-8-9-29-22/h2-12H,1H3,(H,27,28)
InChIKeyDBOPWJGLVCGNNG-UHFFFAOYSA-N
XLogP5.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide (CID 24775533) is 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide is Cc1cc(NC(=O)c2c(F)cccc2F)cnc1-c1cccc(-c2ncco2)c1.
What is the InChIKey of 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
The InChIKey is DBOPWJGLVCGNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-13-10-16(27-21(28)19-17(23)6-3-7-18(19)24)12-26-20(13)14-4-2-5-15(11-14)22-25-8-9-29-22/h2-12H,1H3,(H,27,28).
What are the key properties of 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide?
2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide has a molecular weight of 391.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-methyl-6-[3-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 24775533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).