6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid

C16H14N2O3 — CID 11403296

IUPAC6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2=N[C@@H](Cc3ccccc3)CO2)nc1
InChIInChI=1S/C16H14N2O3/c19-16(20)12-6-7-14(17-9-12)15-18-13(10-21-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,20)/t13-/m0/s1
InChIKeyFTGGCUWKUAFGRX-ZDUSSCGKSA-N
MW282.30 g/mol
LogP2.17
Rot. Bonds4

About 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid

6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid (PubChem CID 11403296) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid
PubChem CID11403296
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2=N[C@@H](Cc3ccccc3)CO2)nc1
InChIInChI=1S/C16H14N2O3/c19-16(20)12-6-7-14(17-9-12)15-18-13(10-21-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,20)/t13-/m0/s1
InChIKeyFTGGCUWKUAFGRX-ZDUSSCGKSA-N
XLogP2.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid (CID 11403296) is 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C2=N[C@@H](Cc3ccccc3)CO2)nc1.
What is the InChIKey of 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid?
The InChIKey is FTGGCUWKUAFGRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)12-6-7-14(17-9-12)15-18-13(10-21-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid?
6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11403296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).