1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine

C15H19FN2OS — CID 106923307

IUPAC1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H19FN2OS/c1-5-17-10(3)14-12(16)7-6-8-13(14)20-15-18-9(2)11(4)19-15/h6-8,10,17H,5H2,1-4H3
InChIKeyCRMSOFZKWCJDLG-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.25
Rot. Bonds5

About 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine (PubChem CID 106923307) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
PubChem CID106923307
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1
InChIInChI=1S/C15H19FN2OS/c1-5-17-10(3)14-12(16)7-6-8-13(14)20-15-18-9(2)11(4)19-15/h6-8,10,17H,5H2,1-4H3
InChIKeyCRMSOFZKWCJDLG-UHFFFAOYSA-N
XLogP4.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 106923251
N-ethyl-1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383100
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
CID 43286542
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 106926798
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-methoxyaniline
CID 106921652
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106926785
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)butan-2-amine
CID 106922206

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine (CID 106923307) is 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1Sc1nc(C)c(C)o1.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is CRMSOFZKWCJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-5-17-10(3)14-12(16)7-6-8-13(14)20-15-18-9(2)11(4)19-15/h6-8,10,17H,5H2,1-4H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine?
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 294.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 106923307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).