3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide

C24H18FN5O3 — CID 72717418

IUPAC3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C24H18FN5O3/c1-30-20(14-19(28-30)15-8-10-17(25)11-9-15)24(31)26-18-6-3-2-5-16(18)13-22-27-23(29-33-22)21-7-4-12-32-21/h2-12,14H,13H2,1H3,(H,26,31)
InChIKeyJXLCBEISSYFBMF-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.71
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 72717418) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID72717418
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Name3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C24H18FN5O3/c1-30-20(14-19(28-30)15-8-10-17(25)11-9-15)24(31)26-18-6-3-2-5-16(18)13-22-27-23(29-33-22)21-7-4-12-32-21/h2-12,14H,13H2,1H3,(H,26,31)
InChIKeyJXLCBEISSYFBMF-UHFFFAOYSA-N
XLogP4.71
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-methyl-benzyl)-1H-pyrazol-3-yl]-amide
CID 1165076
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 44454726
2-(3,4-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454781
2-(3,5-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454808
US8785489, N-(2-furylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 135887152
US8785489, N-(3-furylmethyl)-1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazole-3-carboxamide
CID 135887155
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 646633
tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637279
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
3-(3-{4-[5-(Methoxymethyl)-1,2,4-oxadiazol-3-YL]phenoxy}pyrrolidine-1-carbonyl)-1-methyl-1H-indazole
CID 91905415

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide (CID 72717418) is 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is JXLCBEISSYFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-30-20(14-19(28-30)15-8-10-17(25)11-9-15)24(31)26-18-6-3-2-5-16(18)13-22-27-23(29-33-22)21-7-4-12-32-21/h2-12,14H,13H2,1H3,(H,26,31).
What are the key properties of 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 72717418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).