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

C15H20N2O3S — CID 106927992

IUPAC1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-9-10(2)20-15(17-9)21-8-13(16)12-7-11(18-3)5-6-14(12)19-4/h5-7,13H,8,16H2,1-4H3
InChIKeyZGQGBVJRMUFIRO-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.10
Rot. Bonds6

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

1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 106927992) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID106927992
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H20N2O3S/c1-9-10(2)20-15(17-9)21-8-13(16)12-7-11(18-3)5-6-14(12)19-4/h5-7,13H,8,16H2,1-4H3
InChIKeyZGQGBVJRMUFIRO-UHFFFAOYSA-N
XLogP3.10
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106927882
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927797
1-(2,4-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 71942192
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 106927965
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 106922207

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 106927992) is 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is COc1ccc(OC)c(C(N)CSc2nc(C)c(C)o2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is ZGQGBVJRMUFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9-10(2)20-15(17-9)21-8-13(16)12-7-11(18-3)5-6-14(12)19-4/h5-7,13H,8,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 308.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 106927992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).