5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide

C22H17Cl2FN4O2 — CID 19405914

IUPAC5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C22H17Cl2FN4O2/c1-12-21(13(2)29(27-12)11-14-4-3-5-16(25)8-14)26-22(30)19-10-20(31-28-19)17-7-6-15(23)9-18(17)24/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyNAOCULKUWVOTFM-UHFFFAOYSA-N
MW459.31 g/mol
LogP5.90
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 19405914) has the molecular formula C22H17Cl2FN4O2 and a molecular weight of 459.31 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID19405914
Molecular FormulaC22H17Cl2FN4O2
Molecular Weight459.31 g/mol
Exact Mass458.07
IUPAC Name5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C22H17Cl2FN4O2/c1-12-21(13(2)29(27-12)11-14-4-3-5-16(25)8-14)26-22(30)19-10-20(31-28-19)17-7-6-15(23)9-18(17)24/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyNAOCULKUWVOTFM-UHFFFAOYSA-N
XLogP5.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.31
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19335620
1-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19405876
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
2-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19405940
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19335897
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 17253035
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19335893
3-chloro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-benzothiophene-2-carboxamide
CID 19405939
3-(2,4-dichlorophenyl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510126
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3236902
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19404266
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19330175

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 19405914) is 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NAOCULKUWVOTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN4O2/c1-12-21(13(2)29(27-12)11-14-4-3-5-16(25)8-14)26-22(30)19-10-20(31-28-19)17-7-6-15(23)9-18(17)24/h3-10H,11H2,1-2H3,(H,26,30).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 459.31 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19405914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).