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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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
Sdccgsbi-0117255.P001
CID 42529828
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-4-isopropylpiperazine
CID 28309810
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28374132
(2R*,6S*)-4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 28389206
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-3-(1-pyrrolidinyl)-1-propanamine
CID 28390231
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
CID 30881372
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398

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).