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

C23H23BrN4O2 — CID 53041970

IUPAC(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C23H23BrN4O2/c24-19-6-2-5-18(15-19)23(29)28-13-11-27(12-14-28)20-9-7-16(8-10-20)21-25-22(30-26-21)17-3-1-4-17/h2,5-10,15,17H,1,3-4,11-14H2
InChIKeyBHJQIFLMGPSQDR-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.73
Rot. Bonds4

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

(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone (PubChem CID 53041970) has the molecular formula C23H23BrN4O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
PubChem CID53041970
Molecular FormulaC23H23BrN4O2
Molecular Weight467.37 g/mol
Exact Mass466.10
IUPAC Name(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1
InChIInChI=1S/C23H23BrN4O2/c24-19-6-2-5-18(15-19)23(29)28-13-11-27(12-14-28)20-9-7-16(8-10-20)21-25-22(30-26-21)17-3-1-4-17/h2,5-10,15,17H,1,3-4,11-14H2
InChIKeyBHJQIFLMGPSQDR-UHFFFAOYSA-N
XLogP4.73
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 53041965
N-[4-[5-[(3R)-1-(3-bromobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897499
N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53064623
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53033606
[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53064640
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 53130343
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
(3-bromophenyl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121092573
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone (CID 53041970) is (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2ccc(-c3noc(C4CCC4)n3)cc2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
The InChIKey is BHJQIFLMGPSQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O2/c24-19-6-2-5-18(15-19)23(29)28-13-11-27(12-14-28)20-9-7-16(8-10-20)21-25-22(30-26-21)17-3-1-4-17/h2,5-10,15,17H,1,3-4,11-14H2.
What are the key properties of (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone has a molecular weight of 467.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53041970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).