1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine

C15H20N2OS — CID 64664850

IUPAC1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(SCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(16-4)13-6-5-7-14(8-13)19-9-15-11(2)17-18-12(15)3/h5-8,10,16H,9H2,1-4H3
InChIKeyVVMULHDXQMXHBD-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.86
Rot. Bonds5

About 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine (PubChem CID 64664850) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine
PubChem CID64664850
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(SCc2c(C)noc2C)c1
InChIInChI=1S/C15H20N2OS/c1-10(16-4)13-6-5-7-14(8-13)19-9-15-11(2)17-18-12(15)3/h5-8,10,16H,9H2,1-4H3
InChIKeyVVMULHDXQMXHBD-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]ethanol
CID 64666367
N-ethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]ethanamine
CID 64665076
N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 66349113
N-[1-(3-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 43059209
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
1-(3-but-2-enylsulfanylphenyl)-N-methylethanamine
CID 77055277
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
N-ethyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanamine
CID 64665074
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine (CID 64664850) is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine is CNC(C)c1cccc(SCc2c(C)noc2C)c1.
What is the InChIKey of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine?
The InChIKey is VVMULHDXQMXHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(16-4)13-6-5-7-14(8-13)19-9-15-11(2)17-18-12(15)3/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine?
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 64664850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).