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

C19H30N4O3S — CID 42525689

IUPACN-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-3-4-11-23-17(15-22(2)14-16-10-12-26-21-16)13-20-19(23)27(24,25)18-8-6-5-7-9-18/h10,12-13,18H,3-9,11,14-15H2,1-2H3
InChIKeyUGTAUCRGOIMXNV-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.41
Rot. Bonds9

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

N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 42525689) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID42525689
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H30N4O3S/c1-3-4-11-23-17(15-22(2)14-16-10-12-26-21-16)13-20-19(23)27(24,25)18-8-6-5-7-9-18/h10,12-13,18H,3-9,11,14-15H2,1-2H3
InChIKeyUGTAUCRGOIMXNV-UHFFFAOYSA-N
XLogP3.41
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.41
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-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 42525689) is N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is CCCCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is UGTAUCRGOIMXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-3-4-11-23-17(15-22(2)14-16-10-12-26-21-16)13-20-19(23)27(24,25)18-8-6-5-7-9-18/h10,12-13,18H,3-9,11,14-15H2,1-2H3.
What are the key properties of N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 394.54 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 42525689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).