2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one

C18H14FN5O2 — CID 123207241

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2ncc(-c3ncco3)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C18H14FN5O2/c1-11-8-15(23-24(11)10-12-4-2-3-5-14(12)19)16-21-9-13(17(25)22-16)18-20-6-7-26-18/h2-9H,10H2,1H3,(H,21,22,25)
InChIKeyFVGFWNYJTFOOOD-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.78
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 123207241) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
PubChem CID123207241
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2ncc(-c3ncco3)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C18H14FN5O2/c1-11-8-15(23-24(11)10-12-4-2-3-5-14(12)19)16-21-9-13(17(25)22-16)18-20-6-7-26-18/h2-9H,10H2,1H3,(H,21,22,25)
InChIKeyFVGFWNYJTFOOOD-UHFFFAOYSA-N
XLogP2.78
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 118233431
2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one
CID 137253675
2-[3-(5-fluoro-4-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,3-oxazole
CID 145046968
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118971275
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71604425
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidin-5-yl]-1-phenylcyclobutane-1-carboxamide
CID 146252415
2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]pyrimidin-4-yl]amino]propane-1,3-diol
CID 90446035
methyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66614167
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482254
2-[1-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]pyrimidine
CID 68642170
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one (CID 123207241) is 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one is Cc1cc(-c2ncc(-c3ncco3)c(=O)[nH]2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FVGFWNYJTFOOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-11-8-15(23-24(11)10-12-4-2-3-5-14(12)19)16-21-9-13(17(25)22-16)18-20-6-7-26-18/h2-9H,10H2,1H3,(H,21,22,25).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 351.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 123207241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).