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

C18H13F2N5O2 — CID 71621106

IUPAC5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1cccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)c1F
InChIInChI=1S/C18H13F2N5O2/c1-10-3-2-4-11(16(10)20)9-25-15(13-5-6-27-24-13)7-14(23-25)17-21-8-12(19)18(26)22-17/h2-8H,9H2,1H3,(H,21,22,26)
InChIKeyVQPILUYEENTSEO-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.92
Rot. Bonds4

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

5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 71621106) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID71621106
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCc1cccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)c1F
InChIInChI=1S/C18H13F2N5O2/c1-10-3-2-4-11(16(10)20)9-25-15(13-5-6-27-24-13)7-14(23-25)17-21-8-12(19)18(26)22-17/h2-8H,9H2,1H3,(H,21,22,26)
InChIKeyVQPILUYEENTSEO-UHFFFAOYSA-N
XLogP2.92
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 71621106) is 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is Cc1cccc(Cn2nc(-c3ncc(F)c(=O)[nH]3)cc2-c2ccon2)c1F.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is VQPILUYEENTSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-10-3-2-4-11(16(10)20)9-25-15(13-5-6-27-24-13)7-14(23-25)17-21-8-12(19)18(26)22-17/h2-8H,9H2,1H3,(H,21,22,26).
What are the key properties of 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 369.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluoro-3-methylphenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).