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

C23H21FN4O2 — CID 71837380

IUPAC3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(C)c(F)c4)cc3)oc2C)c1
InChIInChI=1S/C23H21FN4O2/c1-14-11-25-28(12-14)13-21-16(3)30-23(27-21)17-6-8-19(9-7-17)26-22(29)18-5-4-15(2)20(24)10-18/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyGFDUDIIVJYZLER-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.90
Rot. Bonds5

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

3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837380) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837380
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(C)c(F)c4)cc3)oc2C)c1
InChIInChI=1S/C23H21FN4O2/c1-14-11-25-28(12-14)13-21-16(3)30-23(27-21)17-6-8-19(9-7-17)26-22(29)18-5-4-15(2)20(24)10-18/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyGFDUDIIVJYZLER-UHFFFAOYSA-N
XLogP4.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837391
3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837372
2,5-dimethyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837412
N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenyl)acetamide
CID 71837375
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
CID 71837337
3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
CID 71837333
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666
5,7-dimethyl-N-[4-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155968417
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
2-methoxy-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837458

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837380) is 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4ccc(C)c(F)c4)cc3)oc2C)c1.
What is the InChIKey of 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is GFDUDIIVJYZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-11-25-28(12-14)13-21-16(3)30-23(27-21)17-6-8-19(9-7-17)26-22(29)18-5-4-15(2)20(24)10-18/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 404.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).