4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one

C25H21FN4O2 — CID 142678060

IUPAC4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F
InChIInChI=1S/C25H21FN4O2/c26-22-9-5-4-8-21(22)24-19(14-27-23-16-32-29-25(23)31)15-28-30(24)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,15,23,27H,14,16H2,(H,29,31)
InChIKeyJJQCGDLAXDYOFZ-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.87
Rot. Bonds6

About 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one

4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one (PubChem CID 142678060) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one
PubChem CID142678060
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F
InChIInChI=1S/C25H21FN4O2/c26-22-9-5-4-8-21(22)24-19(14-27-23-16-32-29-25(23)31)15-28-30(24)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,15,23,27H,14,16H2,(H,29,31)
InChIKeyJJQCGDLAXDYOFZ-UHFFFAOYSA-N
XLogP3.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one (CID 142678060) is 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one is O=C1NOCC1NCc1cnn(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1F.
What is the InChIKey of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one?
The InChIKey is JJQCGDLAXDYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-22-9-5-4-8-21(22)24-19(14-27-23-16-32-29-25(23)31)15-28-30(24)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,15,23,27H,14,16H2,(H,29,31).
What are the key properties of 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one?
4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one has a molecular weight of 428.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 142678060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).