(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine

C21H17FN2OS — CID 8864461

IUPAC(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESFc1ccc(-c2cnc(CN[C@@H](c3ccccc3)c3cccs3)o2)cc1
InChIInChI=1S/C21H17FN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/t21-/m0/s1
InChIKeyXDEZEOZDXICDMF-NRFANRHFSA-N
MW364.45 g/mol
LogP5.42
Rot. Bonds6

About (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine

(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine (PubChem CID 8864461) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
PubChem CID8864461
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESFc1ccc(-c2cnc(CN[C@@H](c3ccccc3)c3cccs3)o2)cc1
InChIInChI=1S/C21H17FN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/t21-/m0/s1
InChIKeyXDEZEOZDXICDMF-NRFANRHFSA-N
XLogP5.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475
(1R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8863493
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695183
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863492
1-(4-fluorophenyl)-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
CID 46601298
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
CID 51088463
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
N-[(5-iodofuran-2-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43786376
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
N-[(3-methyltriazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 115682173

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The IUPAC name of (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine (CID 8864461) is (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine is Fc1ccc(-c2cnc(CN[C@@H](c3ccccc3)c3cccs3)o2)cc1.
What is the InChIKey of (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The InChIKey is XDEZEOZDXICDMF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17FN2OS/c22-17-10-8-15(9-11-17)18-13-23-20(25-18)14-24-21(19-7-4-12-26-19)16-5-2-1-3-6-16/h1-13,21,24H,14H2/t21-/m0/s1.
What are the key properties of (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine has a molecular weight of 364.45 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 8864461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).