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

C22H18F2N4O2 — CID 17252716

IUPAC5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C22H18F2N4O2/c1-13-21(14(2)28(26-13)12-15-3-7-17(23)8-4-15)25-22(29)19-11-20(30-27-19)16-5-9-18(24)10-6-16/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyQSHXYNOHWTWOFX-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.73
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 17252716) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID17252716
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C22H18F2N4O2/c1-13-21(14(2)28(26-13)12-15-3-7-17(23)8-4-15)25-22(29)19-11-20(30-27-19)16-5-9-18(24)10-6-16/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyQSHXYNOHWTWOFX-UHFFFAOYSA-N
XLogP4.73
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 17252716) is 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is QSHXYNOHWTWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-13-21(14(2)28(26-13)12-15-3-7-17(23)8-4-15)25-22(29)19-11-20(30-27-19)16-5-9-18(24)10-6-16/h3-11H,12H2,1-2H3,(H,25,29).
What are the key properties of 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).