1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

C15H20N2OS — CID 106927779

IUPAC1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc(C)co1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2OS/c1-10-5-11(2)7-13(6-10)14(16-4)9-19-15-17-12(3)8-18-15/h5-8,14,16H,9H2,1-4H3
InChIKeyLRLDLEZGTDCVDY-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.65
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine

1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 106927779) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID106927779
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc(C)co1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2OS/c1-10-5-11(2)7-13(6-10)14(16-4)9-19-15-17-12(3)8-18-15/h5-8,14,16H,9H2,1-4H3
InChIKeyLRLDLEZGTDCVDY-UHFFFAOYSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 106927779) is 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is CNC(CSc1nc(C)co1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LRLDLEZGTDCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-5-11(2)7-13(6-10)14(16-4)9-19-15-17-12(3)8-18-15/h5-8,14,16H,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 106927779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).