3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide

C21H16F2N4O2 — CID 71837442

About 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide

3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837442) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
• PubChem CID: 71837442
• Molecular Formula: C21H16F2N4O2
• Molecular Weight: 394.38 g/mol
• Exact Mass: 394.12
• IUPAC Name: 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
• SMILES: Cc1oc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)nc1Cn1cccn1
• InChI: InChI=1S/C21H16F2N4O2/c1-13-19(12-27-8-2-7-24-27)26-21(29-13)14-3-5-18(6-4-14)25-20(28)15-9-16(22)11-17(23)10-15/h2-11H,12H2,1H3,(H,25,28)
• InChIKey: BFNSWUQZWRUWIC-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.38
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?

The IUPAC name of 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837442) is 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide is Cc1oc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)nc1Cn1cccn1.

What is the InChIKey of 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?

The InChIKey is BFNSWUQZWRUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-13-19(12-27-8-2-7-24-27)26-21(29-13)14-3-5-18(6-4-14)25-20(28)15-9-16(22)11-17(23)10-15/h2-11H,12H2,1H3,(H,25,28).

What are the key properties of 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide?

3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 394.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).