[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

C18H26N4O2S — CID 55916283

IUPAC[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCCCCc1noc(C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C18H26N4O2S/c1-4-5-6-16-19-17(24-20-16)14(3)21-9-11-22(12-10-21)18(23)15-8-7-13(2)25-15/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyOZBJJXYKSJFYPF-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.30
Rot. Bonds6

About [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 55916283) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID55916283
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCCCCc1noc(C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)n1
InChIInChI=1S/C18H26N4O2S/c1-4-5-6-16-19-17(24-20-16)14(3)21-9-11-22(12-10-21)18(23)15-8-7-13(2)25-15/h7-8,14H,4-6,9-12H2,1-3H3
InChIKeyOZBJJXYKSJFYPF-UHFFFAOYSA-N
XLogP3.30
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849039
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877280
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 55916540
1-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]octan-1-one
CID 60551588
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 119880668
(1S)-2-[4-[(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 95294032
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 55916283) is [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is CCCCc1noc(C(C)N2CCN(C(=O)c3ccc(C)s3)CC2)n1.
What is the InChIKey of [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is OZBJJXYKSJFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-5-6-16-19-17(24-20-16)14(3)21-9-11-22(12-10-21)18(23)15-8-7-13(2)25-15/h7-8,14H,4-6,9-12H2,1-3H3.
What are the key properties of [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 362.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 55916283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).