(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

C14H17BrN4O3 — CID 51946721

IUPAC(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)o3)CC2)n1
InChIInChI=1S/C14H17BrN4O3/c1-9(13-16-10(2)17-22-13)18-5-7-19(8-6-18)14(20)11-3-4-12(15)21-11/h3-4,9H,5-8H2,1-2H3/t9-/m0/s1
InChIKeyJQIUYQPPPSKYMQ-VIFPVBQESA-N
MW369.22 g/mol
LogP2.25
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 51946721) has the molecular formula C14H17BrN4O3 and a molecular weight of 369.22 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
PubChem CID51946721
Molecular FormulaC14H17BrN4O3
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)o3)CC2)n1
InChIInChI=1S/C14H17BrN4O3/c1-9(13-16-10(2)17-22-13)18-5-7-19(8-6-18)14(20)11-3-4-12(15)21-11/h3-4,9H,5-8H2,1-2H3/t9-/m0/s1
InChIKeyJQIUYQPPPSKYMQ-VIFPVBQESA-N
XLogP2.25
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
2-(4-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028444
2-(4-chlorophenyl)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94028443
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (CID 51946721) is (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)o3)CC2)n1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is JQIUYQPPPSKYMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN4O3/c1-9(13-16-10(2)17-22-13)18-5-7-19(8-6-18)14(20)11-3-4-12(15)21-11/h3-4,9H,5-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 369.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51946721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).