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

C17H12FN5O2 — CID 71622563

IUPAC2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C17H12FN5O2/c18-12-9-19-16(20-17(12)24)14-8-15(13-6-7-25-22-13)23(21-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,24)
InChIKeyCMRKKQSBTZMRCF-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.48
Rot. Bonds4

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

2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 71622563) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID71622563
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F
InChIInChI=1S/C17H12FN5O2/c18-12-9-19-16(20-17(12)24)14-8-15(13-6-7-25-22-13)23(21-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,24)
InChIKeyCMRKKQSBTZMRCF-UHFFFAOYSA-N
XLogP2.48
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (CID 71622563) is 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(-c3ccon3)n(Cc3ccccc3)n2)ncc1F.
What is the InChIKey of 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is CMRKKQSBTZMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-12-9-19-16(20-17(12)24)14-8-15(13-6-7-25-22-13)23(21-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,24).
What are the key properties of 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 337.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 71622563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).