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

C14H19BrN6O — CID 136515535

IUPAC5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3ncncc3Br)CC2)n1
InChIInChI=1S/C14H19BrN6O/c1-3-12-18-14(22-19-12)10(2)20-4-6-21(7-5-20)13-11(15)8-16-9-17-13/h8-10H,3-7H2,1-2H3
InChIKeyAPDPCPDLNVBVNK-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.07
Rot. Bonds4

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

5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 136515535) has the molecular formula C14H19BrN6O and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID136515535
Molecular FormulaC14H19BrN6O
Molecular Weight367.25 g/mol
Exact Mass366.08
IUPAC Name5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(C(C)N2CCN(c3ncncc3Br)CC2)n1
InChIInChI=1S/C14H19BrN6O/c1-3-12-18-14(22-19-12)10(2)20-4-6-21(7-5-20)13-11(15)8-16-9-17-13/h8-10H,3-7H2,1-2H3
InChIKeyAPDPCPDLNVBVNK-UHFFFAOYSA-N
XLogP2.07
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
3-ethyl-5-[(1S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95160534
5-[(1R)-1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 95338690
5-[1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 133311377
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
3-ethyl-5-[(1R)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283701
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 133311387
3-ethyl-5-[1-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 133372388
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole (CID 136515535) is 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(C(C)N2CCN(c3ncncc3Br)CC2)n1.
What is the InChIKey of 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is APDPCPDLNVBVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6O/c1-3-12-18-14(22-19-12)10(2)20-4-6-21(7-5-20)13-11(15)8-16-9-17-13/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole?
5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 367.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 136515535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).