5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide

C23H18F3N5O3 — CID 122189927

IUPAC5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C23H18F3N5O3/c1-13-8-9-15(10-19(13)30-21(32)17-12-28-34-14(17)2)29-22(33)18-11-27-31(20(18)23(24,25)26)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,33)(H,30,32)
InChIKeyZFGCLTIKEYHMLP-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.00
Rot. Bonds5

About 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 122189927) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
PubChem CID122189927
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1NC(=O)c1cnoc1C
InChIInChI=1S/C23H18F3N5O3/c1-13-8-9-15(10-19(13)30-21(32)17-12-28-34-14(17)2)29-22(33)18-11-27-31(20(18)23(24,25)26)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,33)(H,30,32)
InChIKeyZFGCLTIKEYHMLP-UHFFFAOYSA-N
XLogP5.00
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide 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

N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-(4-methyl-2-oxochromen-7-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579201
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112832819
5-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55700571
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide (CID 122189927) is 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1NC(=O)c1cnoc1C.
What is the InChIKey of 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZFGCLTIKEYHMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c1-13-8-9-15(10-19(13)30-21(32)17-12-28-34-14(17)2)29-22(33)18-11-27-31(20(18)23(24,25)26)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122189927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).