N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine

C14H19N3O2S — CID 106926746

IUPACN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2nc(C)c(C)o2)nc1
InChIInChI=1S/C14H19N3O2S/c1-10-11(2)19-14(17-10)20-13-5-4-12(9-16-13)8-15-6-7-18-3/h4-5,9,15H,6-8H2,1-3H3
InChIKeyOKUOIQKWGPYUDW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.57
Rot. Bonds7

About N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine

N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine (PubChem CID 106926746) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
PubChem CID106926746
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Sc2nc(C)c(C)o2)nc1
InChIInChI=1S/C14H19N3O2S/c1-10-11(2)19-14(17-10)20-13-5-4-12(9-16-13)8-15-6-7-18-3/h4-5,9,15H,6-8H2,1-3H3
InChIKeyOKUOIQKWGPYUDW-UHFFFAOYSA-N
XLogP2.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106926747
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 102926136
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650841
2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
N-[[4-bromo-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926816
N-[[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 106926720
N-[[6-[2-(dimethylamino)ethylsulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80651024
2-[[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]sulfanyl]acetamide
CID 114231429

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine (CID 106926746) is N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Sc2nc(C)c(C)o2)nc1.
What is the InChIKey of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
The InChIKey is OKUOIQKWGPYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-11(2)19-14(17-10)20-13-5-4-12(9-16-13)8-15-6-7-18-3/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine?
N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine has a molecular weight of 293.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106926746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).