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

C15H20N2OS — CID 47006556

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-11-15(12(2)18-16-11)10-17(3)9-13-5-7-14(19-4)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyDMAGEUDAURTNPL-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.65
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 47006556) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID47006556
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN(C)Cc2c(C)noc2C)cc1
InChIInChI=1S/C15H20N2OS/c1-11-15(12(2)18-16-11)10-17(3)9-13-5-7-14(19-4)8-6-13/h5-8H,9-10H2,1-4H3
InChIKeyDMAGEUDAURTNPL-UHFFFAOYSA-N
XLogP3.65
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 47006556) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CN(C)Cc2c(C)noc2C)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is DMAGEUDAURTNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-15(12(2)18-16-11)10-17(3)9-13-5-7-14(19-4)8-6-13/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-methylsulfanylphenyl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 47006556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).