N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide

C23H20F2N4O2 — CID 71837337

IUPACN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)oc2C)n1
InChIInChI=1S/C23H20F2N4O2/c1-13-10-14(2)29(28-13)12-21-15(3)31-23(27-21)16-4-7-18(8-5-16)26-22(30)17-6-9-19(24)20(25)11-17/h4-11H,12H2,1-3H3,(H,26,30)
InChIKeyYTKBCPOTTWSGTM-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.04
Rot. Bonds5

About N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide

N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide (PubChem CID 71837337) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
PubChem CID71837337
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)oc2C)n1
InChIInChI=1S/C23H20F2N4O2/c1-13-10-14(2)29(28-13)12-21-15(3)31-23(27-21)16-4-7-18(8-5-16)26-22(30)17-6-9-19(24)20(25)11-17/h4-11H,12H2,1-3H3,(H,26,30)
InChIKeyYTKBCPOTTWSGTM-UHFFFAOYSA-N
XLogP5.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837326
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,4-dimethylbenzamide
CID 71837333
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide
CID 71837315
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
CID 71837338
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 71837307
3-fluoro-4-methyl-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837380
3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
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
4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837292
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide (CID 71837337) is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide is Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc(F)c(F)c4)cc3)oc2C)n1.
What is the InChIKey of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide?
The InChIKey is YTKBCPOTTWSGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-13-10-14(2)29(28-13)12-21-15(3)31-23(27-21)16-4-7-18(8-5-16)26-22(30)17-6-9-19(24)20(25)11-17/h4-11H,12H2,1-3H3,(H,26,30).
What are the key properties of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide?
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide has a molecular weight of 422.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 71837337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).