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

C18H19BrN4O2S — CID 26551578

IUPAC2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1
InChIInChI=1S/C18H19BrN4O2S/c1-24-14-5-3-2-4-13(14)23-10-8-22(9-11-23)12-17-20-21-18(25-17)15-6-7-16(19)26-15/h2-7H,8-12H2,1H3
InChIKeyMQUGRQOLFVWHKI-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.89
Rot. Bonds5

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

2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 26551578) has the molecular formula C18H19BrN4O2S and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID26551578
Molecular FormulaC18H19BrN4O2S
Molecular Weight435.35 g/mol
Exact Mass434.04
IUPAC Name2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1
InChIInChI=1S/C18H19BrN4O2S/c1-24-14-5-3-2-4-13(14)23-10-8-22(9-11-23)12-17-20-21-18(25-17)15-6-7-16(19)26-15/h2-7H,8-12H2,1H3
InChIKeyMQUGRQOLFVWHKI-UHFFFAOYSA-N
XLogP3.89
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
2-(1,3-benzodioxol-5-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 46248991
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115304964
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 60689688
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 26551578) is 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is COc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is MQUGRQOLFVWHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2S/c1-24-14-5-3-2-4-13(14)23-10-8-22(9-11-23)12-17-20-21-18(25-17)15-6-7-16(19)26-15/h2-7H,8-12H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 435.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 26551578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).