N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

C19H21FN2O2S — CID 45211159

IUPACN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)C(C)c3cccs3)c(C)o2)c1
InChIInChI=1S/C19H21FN2O2S/c1-12(18-6-5-9-25-18)22(3)11-17-13(2)24-19(21-17)15-10-14(23-4)7-8-16(15)20/h5-10,12H,11H2,1-4H3
InChIKeyMXXAIRFPUZGZST-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.05
Rot. Bonds6

About N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 45211159) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID45211159
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)C(C)c3cccs3)c(C)o2)c1
InChIInChI=1S/C19H21FN2O2S/c1-12(18-6-5-9-25-18)22(3)11-17-13(2)24-19(21-17)15-10-14(23-4)7-8-16(15)20/h5-10,12H,11H2,1-4H3
InChIKeyMXXAIRFPUZGZST-UHFFFAOYSA-N
XLogP5.05
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 45211159) is N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is COc1ccc(F)c(-c2nc(CN(C)C(C)c3cccs3)c(C)o2)c1.
What is the InChIKey of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is MXXAIRFPUZGZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-12(18-6-5-9-25-18)22(3)11-17-13(2)24-19(21-17)15-10-14(23-4)7-8-16(15)20/h5-10,12H,11H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 360.45 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 45211159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).