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

C22H19FN4O2 — CID 71837372

IUPAC3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)16-6-8-19(9-7-16)25-21(28)17-4-3-5-18(23)10-17/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyPAKBILSKJFUHDC-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.59
Rot. Bonds5

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

3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837372) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837372
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)16-6-8-19(9-7-16)25-21(28)17-4-3-5-18(23)10-17/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyPAKBILSKJFUHDC-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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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-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837380
2,5-dimethyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837412
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-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]-2-(2-methylphenyl)acetamide
CID 71837375
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
CID 71837337
3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837372) is 3-fluoro-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-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2C)c1.
What is the InChIKey of 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is PAKBILSKJFUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14-11-24-27(12-14)13-20-15(2)29-22(26-20)16-6-8-19(9-7-16)25-21(28)17-4-3-5-18(23)10-17/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
3-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 3-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).