(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C10H8FNO3 — CID 67501514

IUPAC(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1N=CO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5,8-9H,(H,13,14)/t8-,9+/m1/s1
InChIKeyAICBQMVUYLLMQQ-BDAKNGLRSA-N
MW209.18 g/mol
LogP1.38
Rot. Bonds2

About (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid

(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 67501514) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID67501514
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1N=CO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5,8-9H,(H,13,14)/t8-,9+/m1/s1
InChIKeyAICBQMVUYLLMQQ-BDAKNGLRSA-N
XLogP1.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 67501514) is (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)[C@@H]1N=CO[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is AICBQMVUYLLMQQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5,8-9H,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
(4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 67501514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).