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

C17H18FN5O — CID 120893864

IUPAC3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(-c3ccn(C4CCCNC4)n3)n2)c1
InChIInChI=1S/C17H18FN5O/c18-13-4-1-3-12(9-13)10-16-20-17(24-22-16)15-6-8-23(21-15)14-5-2-7-19-11-14/h1,3-4,6,8-9,14,19H,2,5,7,10-11H2
InChIKeyMLPMTGULRUBEIR-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.59
Rot. Bonds4

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

3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 120893864) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID120893864
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cc2noc(-c3ccn(C4CCCNC4)n3)n2)c1
InChIInChI=1S/C17H18FN5O/c18-13-4-1-3-12(9-13)10-16-20-17(24-22-16)15-6-8-23(21-15)14-5-2-7-19-11-14/h1,3-4,6,8-9,14,19H,2,5,7,10-11H2
InChIKeyMLPMTGULRUBEIR-UHFFFAOYSA-N
XLogP2.59
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(phenoxymethyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836378
3-naphthalen-1-yl-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841250
N-cyclohexyl-2-[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120835209
3-(oxolan-2-yl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893788
methyl 3-[[5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842283
3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
3-(4-piperidin-1-ylphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120841635
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
3-(3-chloro-4,5-dimethoxyphenyl)-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole
CID 120838813
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 154838469

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole (CID 120893864) is 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is Fc1cccc(Cc2noc(-c3ccn(C4CCCNC4)n3)n2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is MLPMTGULRUBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-13-4-1-3-12(9-13)10-16-20-17(24-22-16)15-6-8-23(21-15)14-5-2-7-19-11-14/h1,3-4,6,8-9,14,19H,2,5,7,10-11H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole?
3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 327.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-(1-piperidin-3-ylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120893864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).