3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole

C18H23ClN4O — CID 16673944

IUPAC3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H23ClN4O/c1-14-17(21-24-20-14)12-22-8-10-23(11-9-22)13-18(6-7-18)15-2-4-16(19)5-3-15/h2-5H,6-13H2,1H3
InChIKeyFSBSTJJXWIRYCE-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.88
Rot. Bonds5

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

3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 16673944) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID16673944
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H23ClN4O/c1-14-17(21-24-20-14)12-22-8-10-23(11-9-22)13-18(6-7-18)15-2-4-16(19)5-3-15/h2-5H,6-13H2,1H3
InChIKeyFSBSTJJXWIRYCE-UHFFFAOYSA-N
XLogP2.88
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (CID 16673944) is 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is FSBSTJJXWIRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-14-17(21-24-20-14)12-22-8-10-23(11-9-22)13-18(6-7-18)15-2-4-16(19)5-3-15/h2-5H,6-13H2,1H3.
What are the key properties of 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 346.86 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 16673944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).