4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid

C14H13FN2O4 — CID 75368155

IUPAC4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C14H13FN2O4/c1-7(16-8(2)18)11-12(17-21-13(11)14(19)20)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18)(H,19,20)/t7-/m1/s1
InChIKeyZAXRPHZZGBFPCV-SSDOTTSWSA-N
MW292.27 g/mol
LogP2.38
Rot. Bonds4

About 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid

4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 75368155) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID75368155
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C14H13FN2O4/c1-7(16-8(2)18)11-12(17-21-13(11)14(19)20)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18)(H,19,20)/t7-/m1/s1
InChIKeyZAXRPHZZGBFPCV-SSDOTTSWSA-N
XLogP2.38
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (CID 75368155) is 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is CC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZAXRPHZZGBFPCV-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-7(16-8(2)18)11-12(17-21-13(11)14(19)20)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,16,18)(H,19,20)/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-acetamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).