3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

C16H14ClFN4O2 — CID 2818763

IUPAC3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n(C)n1
InChIInChI=1S/C16H14ClFN4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23)
InChIKeyYGSKRRMCXMHBGB-UHFFFAOYSA-N
MW348.77 g/mol
LogP3.74
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2818763) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2818763
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n(C)n1
InChIInChI=1S/C16H14ClFN4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23)
InChIKeyYGSKRRMCXMHBGB-UHFFFAOYSA-N
XLogP3.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241026
3-(2-chlorophenyl)-5-methyl-N-(2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isoxazole-4-carboxamide
CID 3243941
N4-(1,3-dimethyl-1H-pyrazol-5-yl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2818764
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-methylisoxazole-3-carboxamide
CID 3237514
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
CID 654032
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4-isoxazolecarboxamide
CID 1245960
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3239873
N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3241373
3-(2-chlorophenyl)-5-methyl-N-[2-(4-methylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241882
N4-(5-methylisoxazol-3-yl)-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide
CID 2805289
WO2022098970, Example 199
CID 163291931
[5-(4-chlorophenyl)isoxazol-3-yl]-N-{1-[(4-chlorophenyl)methyl]-5-methylpyrazo l-3-yl}carboxamide
CID 15988890

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 2818763) is 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n(C)n1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YGSKRRMCXMHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-8-7-12(22(3)20-8)19-16(23)13-9(2)24-21-15(13)14-10(17)5-4-6-11(14)18/h4-7H,1-3H3,(H,19,23).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 348.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2818763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).