N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine

C15H20N2O3S — CID 50973795

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-11-15(12(2)20-16-11)10-17(3)9-13-5-7-14(8-6-13)21(4,18)19/h5-8H,9-10H2,1-4H3
InChIKeyQADHTHILKPXYJY-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.33
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 50973795) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID50973795
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-11-15(12(2)20-16-11)10-17(3)9-13-5-7-14(8-6-13)21(4,18)19/h5-8H,9-10H2,1-4H3
InChIKeyQADHTHILKPXYJY-UHFFFAOYSA-N
XLogP2.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine (CID 50973795) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine is Cc1noc(C)c1CN(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is QADHTHILKPXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-15(12(2)20-16-11)10-17(3)9-13-5-7-14(8-6-13)21(4,18)19/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 308.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 50973795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).