5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

C15H19FN4O — CID 128517414

IUPAC5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(C(F)=C2CCCC2)n1
InChIInChI=1S/C15H19FN4O/c1-9(2)13-11(8-20(3)18-13)14-17-15(21-19-14)12(16)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeySYXUWCXETCVBCV-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.85
Rot. Bonds3

About 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole

5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 128517414) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID128517414
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(C(F)=C2CCCC2)n1
InChIInChI=1S/C15H19FN4O/c1-9(2)13-11(8-20(3)18-13)14-17-15(21-19-14)12(16)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3
InChIKeySYXUWCXETCVBCV-UHFFFAOYSA-N
XLogP3.85
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-Tert-butyl-5-(5-ethyl-1-pentan-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 99799190
3-(1-Methyl-3-propan-2-ylpyrazol-4-yl)-5-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole
CID 137993762
3-[(2S)-1-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 164632342
5-[(3S)-3-fluorooxolan-3-yl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 164640788
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 129491807
(1,3-Dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83091773
(3-Tert-butyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83092044
(3-Ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 112670298
5-(2-Cyclopropyl-1-fluoroprop-1-enyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 136560198
5-[1-(2-Fluoroethyl)cyclopropyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 137988237
5-(3-Fluorooxolan-3-yl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 137988245
5-(1-Cyclopentylideneethyl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 138020840

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole (CID 128517414) is 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is CC(C)c1nn(C)cc1-c1noc(C(F)=C2CCCC2)n1.
What is the InChIKey of 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is SYXUWCXETCVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9(2)13-11(8-20(3)18-13)14-17-15(21-19-14)12(16)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole?
5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 290.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentylidene(fluoro)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 128517414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).