5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

C18H26N4O — CID 75831255

IUPAC5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)CN1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H26N4O/c1-14(2)13-21-9-11-22(12-10-21)15(3)18-19-17(20-23-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3
InChIKeyMWSXBNQZQONVBY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.07
Rot. Bonds5

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

5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 75831255) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID75831255
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)CN1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H26N4O/c1-14(2)13-21-9-11-22(12-10-21)15(3)18-19-17(20-23-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3
InChIKeyMWSXBNQZQONVBY-UHFFFAOYSA-N
XLogP3.07
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
3-phenyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 40897910
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
5-[(1S)-1-[4-(3-methylbutyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 52513118
5-[(1S)-1-[4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 99796008
5-[(1R)-1-(4-methoxypiperidin-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 94513017
(2S)-2-amino-4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119857144
3-phenyl-5-[(1R)-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100656884
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (CID 75831255) is 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is CC(C)CN1CCN(C(C)c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MWSXBNQZQONVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)13-21-9-11-22(12-10-21)15(3)18-19-17(20-23-18)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3.
What are the key properties of 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 314.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 75831255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).