N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine

C17H26N4O4S — CID 45172789

IUPACN-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine
SMILESCCCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CC1CCCO1
InChIInChI=1S/C17H26N4O4S/c1-3-9-26(22,23)17-18-10-15(21(17)13-16-5-4-7-24-16)12-20(2)11-14-6-8-25-19-14/h6,8,10,16H,3-5,7,9,11-13H2,1-2H3
InChIKeyGRKFVMRVLCWWDC-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.87
Rot. Bonds9

About N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine

N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine (PubChem CID 45172789) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine
PubChem CID45172789
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine
SMILESCCCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CC1CCCO1
InChIInChI=1S/C17H26N4O4S/c1-3-9-26(22,23)17-18-10-15(21(17)13-16-5-4-7-24-16)12-20(2)11-14-6-8-25-19-14/h6,8,10,16H,3-5,7,9,11-13H2,1-2H3
InChIKeyGRKFVMRVLCWWDC-UHFFFAOYSA-N
XLogP1.87
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine (CID 45172789) is N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine is CCCS(=O)(=O)c1ncc(CN(C)Cc2ccon2)n1CC1CCCO1.
What is the InChIKey of N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine?
The InChIKey is GRKFVMRVLCWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-3-9-26(22,23)17-18-10-15(21(17)13-16-5-4-7-24-16)12-20(2)11-14-6-8-25-19-14/h6,8,10,16H,3-5,7,9,11-13H2,1-2H3.
What are the key properties of N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine?
N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine has a molecular weight of 382.49 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2-oxazol-3-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]methanamine is sourced from PubChem (CID 45172789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).