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

C15H9F2N5O2S — CID 73388392

IUPAC5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3sccc3F)n2)ncc1F
InChIInChI=1S/C15H9F2N5O2S/c16-8-2-4-25-13(8)7-22-12(10-1-3-24-21-10)5-11(20-22)14-18-6-9(17)15(23)19-14/h1-6H,7H2,(H,18,19,23)
InChIKeySDWIWEAJPNCSAE-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.68
Rot. Bonds4

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

5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 73388392) has the molecular formula C15H9F2N5O2S and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID73388392
Molecular FormulaC15H9F2N5O2S
Molecular Weight361.33 g/mol
Exact Mass361.04
IUPAC Name5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3sccc3F)n2)ncc1F
InChIInChI=1S/C15H9F2N5O2S/c16-8-2-4-25-13(8)7-22-12(10-1-3-24-21-10)5-11(20-22)14-18-6-9(17)15(23)19-14/h1-6H,7H2,(H,18,19,23)
InChIKeySDWIWEAJPNCSAE-UHFFFAOYSA-N
XLogP2.68
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 73388392) is 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3sccc3F)n2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is SDWIWEAJPNCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O2S/c16-8-2-4-25-13(8)7-22-12(10-1-3-24-21-10)5-11(20-22)14-18-6-9(17)15(23)19-14/h1-6H,7H2,(H,18,19,23).
What are the key properties of 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 361.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-fluorothiophen-2-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 73388392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).