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

C18H23FN4O — CID 129009267

IUPAC5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN(CC3CC3c3ccc(F)cc3)CCN2C)n1
InChIInChI=1S/C18H23FN4O/c1-12-20-18(24-21-12)17-11-23(8-7-22(17)2)10-14-9-16(14)13-3-5-15(19)6-4-13/h3-6,14,16-17H,7-11H2,1-2H3
InChIKeyCIUAFISKJHFZME-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.61
Rot. Bonds4

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

5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129009267) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129009267
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN(CC3CC3c3ccc(F)cc3)CCN2C)n1
InChIInChI=1S/C18H23FN4O/c1-12-20-18(24-21-12)17-11-23(8-7-22(17)2)10-14-9-16(14)13-3-5-15(19)6-4-13/h3-6,14,16-17H,7-11H2,1-2H3
InChIKeyCIUAFISKJHFZME-UHFFFAOYSA-N
XLogP2.61
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129009267) is 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CN(CC3CC3c3ccc(F)cc3)CCN2C)n1.
What is the InChIKey of 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CIUAFISKJHFZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-20-18(24-21-12)17-11-23(8-7-22(17)2)10-14-9-16(14)13-3-5-15(19)6-4-13/h3-6,14,16-17H,7-11H2,1-2H3.
What are the key properties of 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 330.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).