5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole

C23H28N6O — CID 24896191

IUPAC5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCCc1cnc(N2CCN(Cc3nc(C4(c5ccccc5)CCC4)no3)CC2)nc1
InChIInChI=1S/C23H28N6O/c1-2-18-15-24-22(25-16-18)29-13-11-28(12-14-29)17-20-26-21(27-30-20)23(9-6-10-23)19-7-4-3-5-8-19/h3-5,7-8,15-16H,2,6,9-14,17H2,1H3
InChIKeyUGSPHSYXABZJNJ-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.21
Rot. Bonds6

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

5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 24896191) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
PubChem CID24896191
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole
SMILESCCc1cnc(N2CCN(Cc3nc(C4(c5ccccc5)CCC4)no3)CC2)nc1
InChIInChI=1S/C23H28N6O/c1-2-18-15-24-22(25-16-18)29-13-11-28(12-14-29)17-20-26-21(27-30-20)23(9-6-10-23)19-7-4-3-5-8-19/h3-5,7-8,15-16H,2,6,9-14,17H2,1H3
InChIKeyUGSPHSYXABZJNJ-UHFFFAOYSA-N
XLogP3.21
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole (CID 24896191) is 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is CCc1cnc(N2CCN(Cc3nc(C4(c5ccccc5)CCC4)no3)CC2)nc1.
What is the InChIKey of 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is UGSPHSYXABZJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-2-18-15-24-22(25-16-18)29-13-11-28(12-14-29)17-20-26-21(27-30-20)23(9-6-10-23)19-7-4-3-5-8-19/h3-5,7-8,15-16H,2,6,9-14,17H2,1H3.
What are the key properties of 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole?
5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 404.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-(1-phenylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 24896191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).