N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide

C21H31N3O3S — CID 45172971

IUPACN-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCC(C)=CCCC(C)N(C)Cc1nc(-c2ccccc2NS(C)(=O)=O)oc1C
InChIInChI=1S/C21H31N3O3S/c1-15(2)10-9-11-16(3)24(5)14-20-17(4)27-21(22-20)18-12-7-8-13-19(18)23-28(6,25)26/h7-8,10,12-13,16,23H,9,11,14H2,1-6H3
InChIKeyUAGQREPIMHALLG-UHFFFAOYSA-N
MW405.56 g/mol
LogP4.59
Rot. Bonds9

About N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide

N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide (PubChem CID 45172971) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide
PubChem CID45172971
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC NameN-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCC(C)=CCCC(C)N(C)Cc1nc(-c2ccccc2NS(C)(=O)=O)oc1C
InChIInChI=1S/C21H31N3O3S/c1-15(2)10-9-11-16(3)24(5)14-20-17(4)27-21(22-20)18-12-7-8-13-19(18)23-28(6,25)26/h7-8,10,12-13,16,23H,9,11,14H2,1-6H3
InChIKeyUAGQREPIMHALLG-UHFFFAOYSA-N
XLogP4.59
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]methanesulfonamide
CID 42276743
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 26341266
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 26362359
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
(3R)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 42483984
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide (CID 45172971) is N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide is CC(C)=CCCC(C)N(C)Cc1nc(-c2ccccc2NS(C)(=O)=O)oc1C.
What is the InChIKey of N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is UAGQREPIMHALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-15(2)10-9-11-16(3)24(5)14-20-17(4)27-21(22-20)18-12-7-8-13-19(18)23-28(6,25)26/h7-8,10,12-13,16,23H,9,11,14H2,1-6H3.
What are the key properties of N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 405.56 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-[[methyl(6-methylhept-5-en-2-yl)amino]methyl]-1,3-oxazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 45172971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).