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

C19H20FN5OS — CID 133475120

IUPAC5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1nnc(N2CCC(c3noc(C4CC4)n3)CC2)s1
InChIInChI=1S/C19H20FN5OS/c20-15-4-2-1-3-14(15)11-16-22-23-19(27-16)25-9-7-12(8-10-25)17-21-18(26-24-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyBOFGWVMNORTUBF-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.91
Rot. Bonds5

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

5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 133475120) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID133475120
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1nnc(N2CCC(c3noc(C4CC4)n3)CC2)s1
InChIInChI=1S/C19H20FN5OS/c20-15-4-2-1-3-14(15)11-16-22-23-19(27-16)25-9-7-12(8-10-25)17-21-18(26-24-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyBOFGWVMNORTUBF-UHFFFAOYSA-N
XLogP3.91
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133451709
[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451401
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66032392
[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
CID 133475185
5-cyclopropyl-3-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133475093
3-[1-(1-chloroisoquinolin-3-yl)piperidin-4-yl]-5-cyclopropyl-1,2,4-oxadiazole
CID 133475197
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133474987
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 133475215
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552034
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole (CID 133475120) is 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole is Fc1ccccc1Cc1nnc(N2CCC(c3noc(C4CC4)n3)CC2)s1.
What is the InChIKey of 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is BOFGWVMNORTUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-15-4-2-1-3-14(15)11-16-22-23-19(27-16)25-9-7-12(8-10-25)17-21-18(26-24-17)13-5-6-13/h1-4,12-13H,5-11H2.
What are the key properties of 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 385.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133475120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).