3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid

C21H19FN2O5 — CID 75368161

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C21H19FN2O5/c1-12(23-17(25)11-13-3-9-16(28-2)10-4-13)18-19(24-29-20(18)21(26)27)14-5-7-15(22)8-6-14/h3-10,12H,11H2,1-2H3,(H,23,25)(H,26,27)/t12-/m1/s1
InChIKeyUYTZSYUHHFZZLV-GFCCVEGCSA-N
MW398.39 g/mol
LogP3.61
Rot. Bonds7

About 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid

3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368161) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368161
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(CC(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C21H19FN2O5/c1-12(23-17(25)11-13-3-9-16(28-2)10-4-13)18-19(24-29-20(18)21(26)27)14-5-7-15(22)8-6-14/h3-10,12H,11H2,1-2H3,(H,23,25)(H,26,27)/t12-/m1/s1
InChIKeyUYTZSYUHHFZZLV-GFCCVEGCSA-N
XLogP3.61
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368161) is 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(CC(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is UYTZSYUHHFZZLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19FN2O5/c1-12(23-17(25)11-13-3-9-16(28-2)10-4-13)18-19(24-29-20(18)21(26)27)14-5-7-15(22)8-6-14/h3-10,12H,11H2,1-2H3,(H,23,25)(H,26,27)/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 398.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(1R)-1-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).