3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C14H23N3O3S — CID 71988752

IUPAC3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C14H23N3O3S/c18-21(19,12-14-5-10-20-15-14)17-8-6-16(7-9-17)11-13-3-1-2-4-13/h5,10,13H,1-4,6-9,11-12H2
InChIKeyPFSIDJHMGZJUCG-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds5

About 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 71988752) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID71988752
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C14H23N3O3S/c18-21(19,12-14-5-10-20-15-14)17-8-6-16(7-9-17)11-13-3-1-2-4-13/h5,10,13H,1-4,6-9,11-12H2
InChIKeyPFSIDJHMGZJUCG-UHFFFAOYSA-N
XLogP1.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 71988752) is 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(CC2CCCC2)CC1.
What is the InChIKey of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is PFSIDJHMGZJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-21(19,12-14-5-10-20-15-14)17-8-6-16(7-9-17)11-13-3-1-2-4-13/h5,10,13H,1-4,6-9,11-12H2.
What are the key properties of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 313.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 71988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).