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

C20H17FN2O5 — CID 75368156

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C20H17FN2O5/c1-11(22-19(24)13-5-9-15(27-2)10-6-13)16-17(23-28-18(16)20(25)26)12-3-7-14(21)8-4-12/h3-11H,1-2H3,(H,22,24)(H,25,26)/t11-/m1/s1
InChIKeyOOBCSWOYAWSPQG-LLVKDONJSA-N
MW384.36 g/mol
LogP3.68
Rot. Bonds6

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

3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368156) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368156
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1
InChIInChI=1S/C20H17FN2O5/c1-11(22-19(24)13-5-9-15(27-2)10-6-13)16-17(23-28-18(16)20(25)26)12-3-7-14(21)8-4-12/h3-11H,1-2H3,(H,22,24)(H,25,26)/t11-/m1/s1
InChIKeyOOBCSWOYAWSPQG-LLVKDONJSA-N
XLogP3.68
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.68
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-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368156) is 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is COc1ccc(C(=O)N[C@H](C)c2c(-c3ccc(F)cc3)noc2C(=O)O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is OOBCSWOYAWSPQG-LLVKDONJSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-11(22-19(24)13-5-9-15(27-2)10-6-13)16-17(23-28-18(16)20(25)26)12-3-7-14(21)8-4-12/h3-11H,1-2H3,(H,22,24)(H,25,26)/t11-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 384.36 g/mol, XLogP of 3.68, 6 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-[(4-methoxybenzoyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).