2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole

C18H13F2N3O — CID 152638999

IUPAC2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole
SMILESFc1ccc(-c2nn(-c3ccc(F)cc3)cc2C2NC=CO2)cc1
InChIInChI=1S/C18H13F2N3O/c19-13-3-1-12(2-4-13)17-16(18-21-9-10-24-18)11-23(22-17)15-7-5-14(20)6-8-15/h1-11,18,21H
InChIKeyZFDQNWGVEGIYNK-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.91
Rot. Bonds3

About 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole

2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole (PubChem CID 152638999) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole
PubChem CID152638999
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole
SMILESFc1ccc(-c2nn(-c3ccc(F)cc3)cc2C2NC=CO2)cc1
InChIInChI=1S/C18H13F2N3O/c19-13-3-1-12(2-4-13)17-16(18-21-9-10-24-18)11-23(22-17)15-7-5-14(20)6-8-15/h1-11,18,21H
InChIKeyZFDQNWGVEGIYNK-UHFFFAOYSA-N
XLogP3.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole?
The IUPAC name of 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole (CID 152638999) is 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole is Fc1ccc(-c2nn(-c3ccc(F)cc3)cc2C2NC=CO2)cc1.
What is the InChIKey of 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole?
The InChIKey is ZFDQNWGVEGIYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-13-3-1-12(2-4-13)17-16(18-21-9-10-24-18)11-23(22-17)15-7-5-14(20)6-8-15/h1-11,18,21H.
What are the key properties of 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole?
2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole has a molecular weight of 325.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(4-fluorophenyl)pyrazol-4-yl]-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 152638999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).