(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

C10H9NO3 — CID 11218129

IUPAC(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
InChIKeyQNPHKDLKBBKGQM-QMMMGPOBSA-N
MW191.19 g/mol
LogP0.92
Rot. Bonds2

About (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid

(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 11218129) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID11218129
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1
InChIKeyQNPHKDLKBBKGQM-QMMMGPOBSA-N
XLogP0.92
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 11218129) is (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is QNPHKDLKBBKGQM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
(4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 11218129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).