2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine

C23H17FN6O — CID 68642389

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ccccc1
InChIInChI=1S/C23H17FN6O/c24-18-9-5-4-8-16(18)14-30-21(19-10-11-31-29-19)12-20(28-30)23-26-13-17(22(25)27-23)15-6-2-1-3-7-15/h1-13H,14H2,(H2,25,26,27)
InChIKeyWYSACVXCLIIJPW-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.43
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine (PubChem CID 68642389) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine
PubChem CID68642389
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine
SMILESNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ccccc1
InChIInChI=1S/C23H17FN6O/c24-18-9-5-4-8-16(18)14-30-21(19-10-11-31-29-19)12-20(28-30)23-26-13-17(22(25)27-23)15-6-2-1-3-7-15/h1-13H,14H2,(H2,25,26,27)
InChIKeyWYSACVXCLIIJPW-UHFFFAOYSA-N
XLogP4.43
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine (CID 68642389) is 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine is Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1-c1ccccc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine?
The InChIKey is WYSACVXCLIIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-18-9-5-4-8-16(18)14-30-21(19-10-11-31-29-19)12-20(28-30)23-26-13-17(22(25)27-23)15-6-2-1-3-7-15/h1-13H,14H2,(H2,25,26,27).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine has a molecular weight of 412.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-phenylpyrimidin-4-amine is sourced from PubChem (CID 68642389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).