methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate

C13H16N4O3S — CID 47054237

IUPACmethyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H16N4O3S/c1-19-13(18)17-6-4-16(5-7-17)9-11-14-12(20-15-11)10-3-2-8-21-10/h2-3,8H,4-7,9H2,1H3
InChIKeyDHPXCEUQGJLRSM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.68
Rot. Bonds3

About methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate

methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 47054237) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
PubChem CID47054237
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Namemethyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1
InChIInChI=1S/C13H16N4O3S/c1-19-13(18)17-6-4-16(5-7-17)9-11-14-12(20-15-11)10-3-2-8-21-10/h2-3,8H,4-7,9H2,1H3
InChIKeyDHPXCEUQGJLRSM-UHFFFAOYSA-N
XLogP1.68
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
methyl 4-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]piperazine-1-carboxylate
CID 135334809
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
ethyl 4-[[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 159893934
5-ethyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62060129
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol
CID 114779830
1-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42691863
(3-methylthiophen-2-yl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 146061262
N-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 43819078

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate (CID 47054237) is methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate is COC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1.
What is the InChIKey of methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is DHPXCEUQGJLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-19-13(18)17-6-4-16(5-7-17)9-11-14-12(20-15-11)10-3-2-8-21-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate?
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 47054237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).