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

C14H18N4O2S — CID 35197509

IUPAC[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C14H18N4O2S/c1-10(13-15-11(2)16-20-13)17-5-7-18(8-6-17)14(19)12-4-3-9-21-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeySZWPOBGSBWEDQE-JTQLQIEISA-N
MW306.39 g/mol
LogP1.96
Rot. Bonds3

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

[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 35197509) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID35197509
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1noc([C@H](C)N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C14H18N4O2S/c1-10(13-15-11(2)16-20-13)17-5-7-18(8-6-17)14(19)12-4-3-9-21-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1
InChIKeySZWPOBGSBWEDQE-JTQLQIEISA-N
XLogP1.96
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
(5-bromofuran-2-yl)-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 51946721
2-(2-chlorophenyl)-1-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94818654
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(3-methylthiophen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065073
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
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
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 35197509) is [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1noc([C@H](C)N2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SZWPOBGSBWEDQE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(13-15-11(2)16-20-13)17-5-7-18(8-6-17)14(19)12-4-3-9-21-12/h3-4,9-10H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 306.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 35197509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).