5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

C13H13FN2O3 — CID 103258761

IUPAC5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@H](NCc1cc(C(=O)O)no1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O3/c1-8(9-3-2-4-10(14)5-9)15-7-11-6-12(13(17)18)16-19-11/h2-6,8,15H,7H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyUUTUECCQBYUTOM-QMMMGPOBSA-N
MW264.26 g/mol
LogP2.36
Rot. Bonds5

About 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103258761) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103258761
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESC[C@H](NCc1cc(C(=O)O)no1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O3/c1-8(9-3-2-4-10(14)5-9)15-7-11-6-12(13(17)18)16-19-11/h2-6,8,15H,7H2,1H3,(H,17,18)/t8-/m0/s1
InChIKeyUUTUECCQBYUTOM-QMMMGPOBSA-N
XLogP2.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103242352
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
2-fluoro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzoic acid
CID 106699898
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
5-[[1-(3-fluorophenyl)ethylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630989
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103258737
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 94018256
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103258761) is 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is C[C@H](NCc1cc(C(=O)O)no1)c1cccc(F)c1.
What is the InChIKey of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UUTUECCQBYUTOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-8(9-3-2-4-10(14)5-9)15-7-11-6-12(13(17)18)16-19-11/h2-6,8,15H,7H2,1H3,(H,17,18)/t8-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103258761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).