[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone

C25H28N4O3 — CID 53041965

IUPAC[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-2-31-22-12-8-20(9-13-22)25(30)29-16-14-28(15-17-29)21-10-6-18(7-11-21)23-26-24(32-27-23)19-4-3-5-19/h6-13,19H,2-5,14-17H2,1H3
InChIKeyKHEBGXUNJIMQDF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.37
Rot. Bonds6

About [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone

[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 53041965) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID53041965
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1
InChIInChI=1S/C25H28N4O3/c1-2-31-22-12-8-20(9-13-22)25(30)29-16-14-28(15-17-29)21-10-6-18(7-11-21)23-26-24(32-27-23)19-4-3-5-19/h6-13,19H,2-5,14-17H2,1H3
InChIKeyKHEBGXUNJIMQDF-UHFFFAOYSA-N
XLogP4.37
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041970
[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456451
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456452
[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53064640
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3975771
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
methyl 4-[[4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780223

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 53041965) is [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(c3ccc(-c4noc(C5CCC5)n4)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is KHEBGXUNJIMQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-2-31-22-12-8-20(9-13-22)25(30)29-16-14-28(15-17-29)21-10-6-18(7-11-21)23-26-24(32-27-23)19-4-3-5-19/h6-13,19H,2-5,14-17H2,1H3.
What are the key properties of [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 432.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 53041965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).