3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole

C18H14FN5O — CID 56905407

IUPAC3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)cn1
InChIInChI=1S/C18H14FN5O/c1-24-11-14(10-21-24)16-7-4-13(9-20-16)18-22-17(23-25-18)8-12-2-5-15(19)6-3-12/h2-7,9-11H,8H2,1H3
InChIKeyCWDVJVJAWKOIMG-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.26
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 56905407) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID56905407
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)cn1
InChIInChI=1S/C18H14FN5O/c1-24-11-14(10-21-24)16-7-4-13(9-20-16)18-22-17(23-25-18)8-12-2-5-15(19)6-3-12/h2-7,9-11H,8H2,1H3
InChIKeyCWDVJVJAWKOIMG-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methyl-3-phenyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
CID 66964035
N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72700366
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3-fluorobenzamide
CID 91893121
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-fluorobenzamide
CID 91893122
5-(3,4-Difluorophenyl)-3-(6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 145989809
1-[[4-[5-[1-(2-Methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 49835216
1-[[4-[5-[1-(2,2-Dimethylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 49835396
5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 49835535
5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-3-[4-(tetrazol-2-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 49835538
2-[4-[5-(1-Cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetonitrile
CID 49835539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 56905407) is 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole is Cn1cc(-c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)cn1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CWDVJVJAWKOIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-24-11-14(10-21-24)16-7-4-13(9-20-16)18-22-17(23-25-18)8-12-2-5-15(19)6-3-12/h2-7,9-11H,8H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56905407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).