5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C15H13FN4O2 — CID 97445003

IUPAC5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-9(2-4-11)12-7-13(19-18-12)15-17-14(20-22-15)10-5-6-21-8-10/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyMWYFCMWNHZVKJG-JTQLQIEISA-N
MW300.29 g/mol
LogP2.77
Rot. Bonds3

About 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97445003) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97445003
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O2/c16-11-3-1-9(2-4-11)12-7-13(19-18-12)15-17-14(20-22-15)10-5-6-21-8-10/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyMWYFCMWNHZVKJG-JTQLQIEISA-N
XLogP2.77
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 97082937
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446214
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(5-fluoro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72902714
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97445003) is 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is Fc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is MWYFCMWNHZVKJG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-11-3-1-9(2-4-11)12-7-13(19-18-12)15-17-14(20-22-15)10-5-6-21-8-10/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 300.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97445003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).