2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine

C16H27N3O4S — CID 25277639

IUPAC2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine
SMILESCOCCCn1c(CN2CCCO2)cnc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-22-10-5-9-19-14(13-18-8-4-11-23-18)12-17-16(19)24(20,21)15-6-2-3-7-15/h12,15H,2-11,13H2,1H3
InChIKeyQAGGBWMGYKDUBV-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.77
Rot. Bonds8

About 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine

2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine (PubChem CID 25277639) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine
PubChem CID25277639
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine
SMILESCOCCCn1c(CN2CCCO2)cnc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C16H27N3O4S/c1-22-10-5-9-19-14(13-18-8-4-11-23-18)12-17-16(19)24(20,21)15-6-2-3-7-15/h12,15H,2-11,13H2,1H3
InChIKeyQAGGBWMGYKDUBV-UHFFFAOYSA-N
XLogP1.77
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The IUPAC name of 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine (CID 25277639) is 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine.
What is the SMILES notation for 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The canonical SMILES for 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine is COCCCn1c(CN2CCCO2)cnc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The InChIKey is QAGGBWMGYKDUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-22-10-5-9-19-14(13-18-8-4-11-23-18)12-17-16(19)24(20,21)15-6-2-3-7-15/h12,15H,2-11,13H2,1H3.
What are the key properties of 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine has a molecular weight of 357.48 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2-oxazolidine is sourced from PubChem (CID 25277639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).