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

C23H17F2N3O2 — CID 24775811

IUPAC2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)c2)on1
InChIInChI=1S/C23H17F2N3O2/c1-13-6-7-15(21-10-14(2)28-30-21)11-17(13)20-9-8-16(12-26-20)27-23(29)22-18(24)4-3-5-19(22)25/h3-12H,1-2H3,(H,27,29)
InChIKeyXRUZPDHALZTTLS-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.55
Rot. Bonds4

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

2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide (PubChem CID 24775811) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
PubChem CID24775811
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide
SMILESCc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)c2)on1
InChIInChI=1S/C23H17F2N3O2/c1-13-6-7-15(21-10-14(2)28-30-21)11-17(13)20-9-8-16(12-26-20)27-23(29)22-18(24)4-3-5-19(22)25/h3-12H,1-2H3,(H,27,29)
InChIKeyXRUZPDHALZTTLS-UHFFFAOYSA-N
XLogP5.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide (CID 24775811) is 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide is Cc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cn3)c2)on1.
What is the InChIKey of 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide?
The InChIKey is XRUZPDHALZTTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-13-6-7-15(21-10-14(2)28-30-21)11-17(13)20-9-8-16(12-26-20)27-23(29)22-18(24)4-3-5-19(22)25/h3-12H,1-2H3,(H,27,29).
What are the key properties of 2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide?
2,6-difluoro-N-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide has a molecular weight of 405.40 g/mol, XLogP of 5.55, 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-[6-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 24775811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).