[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone

C15H20N6O2S — CID 9111092

IUPAC[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(Cn2nnc(-c3cccs3)n2)CC1
InChIInChI=1S/C15H20N6O2S/c22-15(12-3-1-9-23-12)20-7-5-19(6-8-20)11-21-17-14(16-18-21)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11H2/t12-/m1/s1
InChIKeyMCWFKXZCLREUFG-GFCCVEGCSA-N
MW348.43 g/mol
LogP0.68
Rot. Bonds4

About [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone

[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 9111092) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID9111092
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(Cn2nnc(-c3cccs3)n2)CC1
InChIInChI=1S/C15H20N6O2S/c22-15(12-3-1-9-23-12)20-7-5-19(6-8-20)11-21-17-14(16-18-21)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11H2/t12-/m1/s1
InChIKeyMCWFKXZCLREUFG-GFCCVEGCSA-N
XLogP0.68
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
[(2R)-oxolan-2-yl]-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2578088
[(2R)-oxolan-2-yl]-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 95100629
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 51074753
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95763078
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302
1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 8832879
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone (CID 9111092) is [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone is O=C([C@H]1CCCO1)N1CCN(Cn2nnc(-c3cccs3)n2)CC1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is MCWFKXZCLREUFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O2S/c22-15(12-3-1-9-23-12)20-7-5-19(6-8-20)11-21-17-14(16-18-21)13-4-2-10-24-13/h2,4,10,12H,1,3,5-9,11H2/t12-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 348.43 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).