2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine

C17H29N3O4S — CID 42594408

IUPAC2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine
SMILESCOCCn1c(CN2CCCO2)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H29N3O4S/c1-23-11-9-20-16(13-19-8-5-10-24-19)12-18-17(20)25(21,22)14-15-6-3-2-4-7-15/h12,15H,2-11,13-14H2,1H3
InChIKeyIYSWGZVXGRNXPO-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.02
Rot. Bonds8

About 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine

2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine (PubChem CID 42594408) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine
PubChem CID42594408
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine
SMILESCOCCn1c(CN2CCCO2)cnc1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C17H29N3O4S/c1-23-11-9-20-16(13-19-8-5-10-24-19)12-18-17(20)25(21,22)14-15-6-3-2-4-7-15/h12,15H,2-11,13-14H2,1H3
InChIKeyIYSWGZVXGRNXPO-UHFFFAOYSA-N
XLogP2.02
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The IUPAC name of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine (CID 42594408) is 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine.
What is the SMILES notation for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The canonical SMILES for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine is COCCn1c(CN2CCCO2)cnc1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
The InChIKey is IYSWGZVXGRNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-23-11-9-20-16(13-19-8-5-10-24-19)12-18-17(20)25(21,22)14-15-6-3-2-4-7-15/h12,15H,2-11,13-14H2,1H3.
What are the key properties of 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine?
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine has a molecular weight of 371.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-oxazolidine is sourced from PubChem (CID 42594408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).