N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine

C19H32N4O3S — CID 25283383

IUPACN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C19H32N4O3S/c1-5-6-10-23-18(15-22(4)14-17-9-11-26-21-17)13-20-19(23)27(24,25)12-7-8-16(2)3/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3
InChIKeyCBARWXLLEUCXDZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.51
Rot. Bonds12

About N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine

N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 25283383) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID25283383
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C19H32N4O3S/c1-5-6-10-23-18(15-22(4)14-17-9-11-26-21-17)13-20-19(23)27(24,25)12-7-8-16(2)3/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3
InChIKeyCBARWXLLEUCXDZ-UHFFFAOYSA-N
XLogP3.51
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 25283383) is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is CCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is CBARWXLLEUCXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-5-6-10-23-18(15-22(4)14-17-9-11-26-21-17)13-20-19(23)27(24,25)12-7-8-16(2)3/h9,11,13,16H,5-8,10,12,14-15H2,1-4H3.
What are the key properties of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 396.56 g/mol, XLogP of 3.51, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 25283383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).