3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C17H21FN4O — CID 47053059

IUPAC3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN4O/c1-12(17-19-16(20-23-17)13-2-3-13)21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyFSAOBAYSHBCUKW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.97
Rot. Bonds4

About 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 47053059) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID47053059
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN4O/c1-12(17-19-16(20-23-17)13-2-3-13)21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyFSAOBAYSHBCUKW-UHFFFAOYSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(6-methyl-2-pyridinyl)piperazine
CID 16189868
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methylphenyl)piperazine
CID 16190640
1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(6-methylpyridin-2-yl)piperazine
CID 16190687
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-methylphenyl)piperazine
CID 16190854
1-Phenyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 892269
1-(2-Fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 957413
1-(2-Fluorophenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-YL]methyl}piperazine
CID 4414893
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 72043194
2-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 45281557
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-4-phenylpiperazine
CID 16189095
3-Ethyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 40141357
1-(2-((4-fluorophenyl)amino)-2-oxoethyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 45497724

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 47053059) is 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CC(c1nc(C2CC2)no1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is FSAOBAYSHBCUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12(17-19-16(20-23-17)13-2-3-13)21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7,12-13H,2-3,8-11H2,1H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 316.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).