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

C17H17FN4O2 — CID 51085319

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3c(C)noc3C)cc2F)n1
InChIInChI=1S/C17H17FN4O2/c1-9-7-10(2)22(20-9)15-6-5-13(8-14(15)18)19-17(23)16-11(3)21-24-12(16)4/h5-8H,1-4H3,(H,19,23)
InChIKeyALZPQUXSPYAYNZ-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.49
Rot. Bonds3

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

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 51085319) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID51085319
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3c(C)noc3C)cc2F)n1
InChIInChI=1S/C17H17FN4O2/c1-9-7-10(2)22(20-9)15-6-5-13(8-14(15)18)19-17(23)16-11(3)21-24-12(16)4/h5-8H,1-4H3,(H,19,23)
InChIKeyALZPQUXSPYAYNZ-UHFFFAOYSA-N
XLogP3.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122310563
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55892665
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 146153671
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
methyl 5-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55891890
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-hydroxy-2-phenylacetamide
CID 111536844
N-[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-3-fluorophenyl]-2,6-difluorobenzamide
CID 122507648
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55949531
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 51085319) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)noc3C)cc2F)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ALZPQUXSPYAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-9-7-10(2)22(20-9)15-6-5-13(8-14(15)18)19-17(23)16-11(3)21-24-12(16)4/h5-8H,1-4H3,(H,19,23).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51085319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).