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

C17H12FN5O — CID 56599054

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ncco1
InChIInChI=1S/C17H12FN5O/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2
InChIKeyPNPBFLBPZQFDHZ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.18
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole (PubChem CID 56599054) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole
PubChem CID56599054
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ncco1
InChIInChI=1S/C17H12FN5O/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2
InChIKeyPNPBFLBPZQFDHZ-UHFFFAOYSA-N
XLogP3.18
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole (CID 56599054) is 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole is Fc1ccccc1Cn1nc(-c2ncccn2)cc1-c1ncco1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole?
The InChIKey is PNPBFLBPZQFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-5-2-1-4-12(13)11-23-15(17-21-8-9-24-17)10-14(22-23)16-19-6-3-7-20-16/h1-10H,11H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole?
2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole has a molecular weight of 321.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 56599054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).