2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole

C18H12FN5O — CID 154998731

IUPAC2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3[nH]ncc3/C=C/c3cccnc3)o2)cc1
InChIInChI=1S/C18H12FN5O/c19-15-7-5-13(6-8-15)17-23-24-18(25-17)16-14(11-21-22-16)4-3-12-2-1-9-20-10-12/h1-11H,(H,21,22)/b4-3+
InChIKeyODBJGTXNQQQUKH-ONEGZZNKSA-N
MW333.33 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole (PubChem CID 154998731) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
PubChem CID154998731
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3[nH]ncc3/C=C/c3cccnc3)o2)cc1
InChIInChI=1S/C18H12FN5O/c19-15-7-5-13(6-8-15)17-23-24-18(25-17)16-14(11-21-22-16)4-3-12-2-1-9-20-10-12/h1-11H,(H,21,22)/b4-3+
InChIKeyODBJGTXNQQQUKH-ONEGZZNKSA-N
XLogP3.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole (CID 154998731) is 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3[nH]ncc3/C=C/c3cccnc3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole?
The InChIKey is ODBJGTXNQQQUKH-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-15-7-5-13(6-8-15)17-23-24-18(25-17)16-14(11-21-22-16)4-3-12-2-1-9-20-10-12/h1-11H,(H,21,22)/b4-3+.
What are the key properties of 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 333.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).