2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C21H18FN5O3 — CID 41490179

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C21H18FN5O3/c1-13-3-9-17(10-4-13)27-18(11-14(2)24-27)23-19(28)12-26-21(29)30-20(25-26)15-5-7-16(22)8-6-15/h3-11H,12H2,1-2H3,(H,23,28)
InChIKeyGOCVCKRSEIURAT-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.08
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 41490179) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID41490179
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1
InChIInChI=1S/C21H18FN5O3/c1-13-3-9-17(10-4-13)27-18(11-14(2)24-27)23-19(28)12-26-21(29)30-20(25-26)15-5-7-16(22)8-6-15/h3-11H,12H2,1-2H3,(H,23,28)
InChIKeyGOCVCKRSEIURAT-UHFFFAOYSA-N
XLogP3.08
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ylcarbamate
CID 44578542
(4Z)-2-(4-fluorophenyl)-4-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 2327951
(R)-2-Oxoimidazolidine-4-carboxylic acid{1-(4-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
CID 71287732
(4R)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 89476573
(4S)-N-[5-[3-(2-methoxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 89476574
(4R)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 89476603
(4S)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 89476623
(4R)-2-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 89476820
(4R)-2-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxymethyl)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 89476821
(4R)-N-[5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 89476906
(4R)-N-[1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 89476907
(4S)-2-oxo-N-[1-phenyl-5-[3-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
CID 90657034

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 41490179) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is GOCVCKRSEIURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-13-3-9-17(10-4-13)27-18(11-14(2)24-27)23-19(28)12-26-21(29)30-20(25-26)15-5-7-16(22)8-6-15/h3-11H,12H2,1-2H3,(H,23,28).
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 407.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 41490179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).