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

C14H19BrN4OS — CID 55574041

IUPAC5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(Cc3ccc(Br)s3)CC2)n1
InChIInChI=1S/C14H19BrN4OS/c1-10(14-16-11(2)17-20-14)19-7-5-18(6-8-19)9-12-3-4-13(15)21-12/h3-4,10H,5-9H2,1-2H3
InChIKeyHFXXDVGVEUSDIZ-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.08
Rot. Bonds4

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

5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 55574041) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID55574041
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C(C)N2CCN(Cc3ccc(Br)s3)CC2)n1
InChIInChI=1S/C14H19BrN4OS/c1-10(14-16-11(2)17-20-14)19-7-5-18(6-8-19)9-12-3-4-13(15)21-12/h3-4,10H,5-9H2,1-2H3
InChIKeyHFXXDVGVEUSDIZ-UHFFFAOYSA-N
XLogP3.08
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95277612
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
5-[(1R)-1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95336493
3-methyl-5-[(1R)-1-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95273332
5-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95159071
3-methyl-5-[(1R)-1-[4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95280155
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutanenitrile
CID 97212095
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
3-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005
3-methyl-5-[1-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 154747097

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 55574041) is 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C(C)N2CCN(Cc3ccc(Br)s3)CC2)n1.
What is the InChIKey of 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HFXXDVGVEUSDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c1-10(14-16-11(2)17-20-14)19-7-5-18(6-8-19)9-12-3-4-13(15)21-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 371.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 55574041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).