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

C19H15FN2O4 — CID 75368157

IUPAC4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C19H15FN2O4/c1-11(21-18(23)13-5-3-2-4-6-13)15-16(22-26-17(15)19(24)25)12-7-9-14(20)10-8-12/h2-11H,1H3,(H,21,23)(H,24,25)/t11-/m1/s1
InChIKeyLYURRJTZQBMDBH-LLVKDONJSA-N
MW354.34 g/mol
LogP3.67
Rot. Bonds5

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

4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 75368157) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID75368157
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NC(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C19H15FN2O4/c1-11(21-18(23)13-5-3-2-4-6-13)15-16(22-26-17(15)19(24)25)12-7-9-14(20)10-8-12/h2-11H,1H3,(H,21,23)(H,24,25)/t11-/m1/s1
InChIKeyLYURRJTZQBMDBH-LLVKDONJSA-N
XLogP3.67
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid (CID 75368157) is 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is C[C@@H](NC(=O)c1ccccc1)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is LYURRJTZQBMDBH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-11(21-18(23)13-5-3-2-4-6-13)15-16(22-26-17(15)19(24)25)12-7-9-14(20)10-8-12/h2-11H,1H3,(H,21,23)(H,24,25)/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid?
4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 354.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-benzamidoethyl]-3-(4-fluorophenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).