4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide

C22H19FN4O2 — CID 71837391

IUPAC4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)17-5-9-19(10-6-17)25-21(28)16-3-7-18(23)8-4-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyHDYXGXURFZFTBX-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.59
Rot. Bonds5

About 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide

4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837391) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837391
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)17-5-9-19(10-6-17)25-21(28)16-3-7-18(23)8-4-16/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyHDYXGXURFZFTBX-UHFFFAOYSA-N
XLogP4.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837391) is 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2C)c1.
What is the InChIKey of 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is HDYXGXURFZFTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)17-5-9-19(10-6-17)25-21(28)16-3-7-18(23)8-4-16/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).