2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

C17H10F3N5O2 — CID 71604425

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F
InChIInChI=1S/C17H10F3N5O2/c18-10-3-1-2-9(15(10)20)8-25-14(12-4-5-27-24-12)6-13(23-25)16-21-7-11(19)17(26)22-16/h1-7H,8H2,(H,21,22,26)
InChIKeyUVJZMUNHHTYGEL-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.75
Rot. Bonds4

About 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 71604425) has the molecular formula C17H10F3N5O2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID71604425
Molecular FormulaC17H10F3N5O2
Molecular Weight373.29 g/mol
Exact Mass373.08
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F
InChIInChI=1S/C17H10F3N5O2/c18-10-3-1-2-9(15(10)20)8-25-14(12-4-5-27-24-12)6-13(23-25)16-21-7-11(19)17(26)22-16/h1-7H,8H2,(H,21,22,26)
InChIKeyUVJZMUNHHTYGEL-UHFFFAOYSA-N
XLogP2.75
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[1-[(3-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118970728
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
5-chloro-2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;2-[1-[(3-chloro-2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one;1-chloropyrrolidine-2,5-dione
CID 162197120
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118971275
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
3-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4H-1,2,4-triazin-5-one;3-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4H-1,2,4-triazin-5-one
CID 162178597
2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 118233431
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1-methylcyclopropane-1-carboxamide
CID 71621738
1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 118697556
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-pyrazol-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446402
(2S)-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]cyclopentan-1-one
CID 161350978
3-[1-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]pyrazol-5-yl]-1,2-oxazole
CID 118965712

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (CID 71604425) is 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1F.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is UVJZMUNHHTYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2/c18-10-3-1-2-9(15(10)20)8-25-14(12-4-5-27-24-12)6-13(23-25)16-21-7-11(19)17(26)22-16/h1-7H,8H2,(H,21,22,26).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 373.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 71604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).