1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C15H20N2OS — CID 106927383

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2OS/c1-4-16-14(10-19-15-17-5-6-18-15)13-8-11(2)7-12(3)9-13/h5-9,14,16H,4,10H2,1-3H3
InChIKeyWEFUUHNNSKTJLP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.73
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106927383) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106927383
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESCCNC(CSc1ncco1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H20N2OS/c1-4-16-14(10-19-15-17-5-6-18-15)13-8-11(2)7-12(3)9-13/h5-9,14,16H,4,10H2,1-3H3
InChIKeyWEFUUHNNSKTJLP-UHFFFAOYSA-N
XLogP3.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
1-(1-benzofuran-2-yl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927426
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924873
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
3,3-dimethyl-2-(1,3-oxazol-2-ylsulfanylmethyl)butane-1-thiol
CID 106928087
1-(3,5-dimethylphenyl)-N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927779
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(4-methylphenyl)ethanamine
CID 106927853
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106927213
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107784290

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106927383) is 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is CCNC(CSc1ncco1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is WEFUUHNNSKTJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-14(10-19-15-17-5-6-18-15)13-8-11(2)7-12(3)9-13/h5-9,14,16H,4,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
1-(3,5-dimethylphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.73, 6 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-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106927383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).