2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

C18H22FN3O — CID 75615647

IUPAC2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C18H22FN3O/c19-16-9-5-4-8-15(16)18-21-20-17(23-18)13-10-11-22(12-13)14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2
InChIKeyYZTFCVVGTKCHQO-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.00
Rot. Bonds3

About 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 75615647) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID75615647
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2CCN(C3CCCCC3)C2)o1
InChIInChI=1S/C18H22FN3O/c19-16-9-5-4-8-15(16)18-21-20-17(23-18)13-10-11-22(12-13)14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2
InChIKeyYZTFCVVGTKCHQO-UHFFFAOYSA-N
XLogP4.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 132649682
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
2-(1-cyclobutylpyrrolidin-3-yl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 75615258
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
2-(2-fluorophenyl)-5-[(3S)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137659
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 75615647) is 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(C2CCN(C3CCCCC3)C2)o1.
What is the InChIKey of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is YZTFCVVGTKCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-16-9-5-4-8-15(16)18-21-20-17(23-18)13-10-11-22(12-13)14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2.
What are the key properties of 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 315.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrrolidin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).