2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine

C14H18N2O2S — CID 106922207

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)Sc2nc(C)c(C)o2)cc1
InChIInChI=1S/C14H18N2O2S/c1-9-10(2)18-14(16-9)19-13(8-15)11-4-6-12(17-3)7-5-11/h4-7,13H,8,15H2,1-3H3
InChIKeyFVMULGKGWLQSLI-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 106922207) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID106922207
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)Sc2nc(C)c(C)o2)cc1
InChIInChI=1S/C14H18N2O2S/c1-9-10(2)18-14(16-9)19-13(8-15)11-4-6-12(17-3)7-5-11/h4-7,13H,8,15H2,1-3H3
InChIKeyFVMULGKGWLQSLI-UHFFFAOYSA-N
XLogP3.09
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107748655
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106927882
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropan-1-amine
CID 106923898
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-(2,4-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 71942192
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106927931

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine (CID 106922207) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)Sc2nc(C)c(C)o2)cc1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is FVMULGKGWLQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-10(2)18-14(16-9)19-13(8-15)11-4-6-12(17-3)7-5-11/h4-7,13H,8,15H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 278.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 106922207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).