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

C18H19N3O3S — CID 134712685

IUPACN-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H19N3O3S/c1-21(12-14-3-5-17(6-4-14)25(2,22)23)13-16-11-18(20-24-16)15-7-9-19-10-8-15/h3-11H,12-13H2,1-2H3
InChIKeyLKXNLNMOBUUYHC-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.77
Rot. Bonds6

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

N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 134712685) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID134712685
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H19N3O3S/c1-21(12-14-3-5-17(6-4-14)25(2,22)23)13-16-11-18(20-24-16)15-7-9-19-10-8-15/h3-11H,12-13H2,1-2H3
InChIKeyLKXNLNMOBUUYHC-UHFFFAOYSA-N
XLogP2.77
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 134712685) is N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is LKXNLNMOBUUYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(12-14-3-5-17(6-4-14)25(2,22)23)13-16-11-18(20-24-16)15-7-9-19-10-8-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 357.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 134712685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).