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

C19H21FN2O2S — CID 25298863

IUPAC(1R)-N-[[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@H](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/t12-/m1/s1
InChIKeyMXXAIRFPUZGZST-GFCCVEGCSA-N
MW360.45 g/mol
LogP5.05
Rot. Bonds6

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

(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 25298863) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID25298863
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name(1R)-N-[[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@H](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/t12-/m1/s1
InChIKeyMXXAIRFPUZGZST-GFCCVEGCSA-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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Related Compounds

(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 56870547
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 25491748
(1S)-N-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 42095693
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 45176851
1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56864570
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 45194717
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine
CID 95226151
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 25298863) is (1R)-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 (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-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@H](C)c3cccs3)c(C)o2)c1.
What is the InChIKey of (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is MXXAIRFPUZGZST-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
(1R)-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 (1R)-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 25298863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).