5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C18H17FN4O2 — CID 71971352

IUPAC5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nc(-c2nc(C3CCOC3)no2)c2c1CCC2
InChIInChI=1S/C18H17FN4O2/c19-13-5-1-2-6-15(13)23-14-7-3-4-12(14)16(21-23)18-20-17(22-25-18)11-8-9-24-10-11/h1-2,5-6,11H,3-4,7-10H2
InChIKeyBSBQBTTYTUGRMX-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.05
Rot. Bonds3

About 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 71971352) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID71971352
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nc(-c2nc(C3CCOC3)no2)c2c1CCC2
InChIInChI=1S/C18H17FN4O2/c19-13-5-1-2-6-15(13)23-14-7-3-4-12(14)16(21-23)18-20-17(22-25-18)11-8-9-24-10-11/h1-2,5-6,11H,3-4,7-10H2
InChIKeyBSBQBTTYTUGRMX-UHFFFAOYSA-N
XLogP3.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-1,2,4-oxadiazole
CID 75463100
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434198
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957078
5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958731
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinane-2,4-dione
CID 97434097
3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 72902790

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 71971352) is 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is Fc1ccccc1-n1nc(-c2nc(C3CCOC3)no2)c2c1CCC2.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is BSBQBTTYTUGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-5-1-2-6-15(13)23-14-7-3-4-12(14)16(21-23)18-20-17(22-25-18)11-8-9-24-10-11/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 340.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71971352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).