3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole

C17H11F2N5O — CID 68642336

IUPAC3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole
SMILESFc1cccc(Cn2nc(-c3ncccn3)cc2-c2ccon2)c1F
InChIInChI=1S/C17H11F2N5O/c18-12-4-1-3-11(16(12)19)10-24-15(13-5-8-25-23-13)9-14(22-24)17-20-6-2-7-21-17/h1-9H,10H2
InChIKeyQQJKSPYJVWUIGJ-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.32
Rot. Bonds4

About 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole

3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole (PubChem CID 68642336) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole
PubChem CID68642336
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole
SMILESFc1cccc(Cn2nc(-c3ncccn3)cc2-c2ccon2)c1F
InChIInChI=1S/C17H11F2N5O/c18-12-4-1-3-11(16(12)19)10-24-15(13-5-8-25-23-13)9-14(22-24)17-20-6-2-7-21-17/h1-9H,10H2
InChIKeyQQJKSPYJVWUIGJ-UHFFFAOYSA-N
XLogP3.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole (CID 68642336) is 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole is Fc1cccc(Cn2nc(-c3ncccn3)cc2-c2ccon2)c1F.
What is the InChIKey of 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole?
The InChIKey is QQJKSPYJVWUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-12-4-1-3-11(16(12)19)10-24-15(13-5-8-25-23-13)9-14(22-24)17-20-6-2-7-21-17/h1-9H,10H2.
What are the key properties of 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole?
3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole has a molecular weight of 339.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,3-difluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 68642336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).