2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole

C18H14FN5O — CID 56598920

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)o1
InChIInChI=1S/C18H14FN5O/c1-12-21-22-18(25-12)17-10-16(15-8-4-5-9-20-15)23-24(17)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyWUYNDCRDUOVPNX-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.49
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole

2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 56598920) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID56598920
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)o1
InChIInChI=1S/C18H14FN5O/c1-12-21-22-18(25-12)17-10-16(15-8-4-5-9-20-15)23-24(17)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyWUYNDCRDUOVPNX-UHFFFAOYSA-N
XLogP3.49
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.49
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-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole (CID 56598920) is 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)o1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WUYNDCRDUOVPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-12-21-22-18(25-12)17-10-16(15-8-4-5-9-20-15)23-24(17)11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 3.49, 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-pyridin-2-ylpyrazol-5-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 56598920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).