3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H9NO3 — CID 57036549

IUPAC3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6,9,11H,(H,12,13)
InChIKeyJKOFSRGUXJVDPU-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.02
Rot. Bonds2

About 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid

3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57036549) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57036549
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2)NO1
InChIInChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6,9,11H,(H,12,13)
InChIKeyJKOFSRGUXJVDPU-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-Methyl-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxybutanoic acid
CID 57147319
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57217620
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
Methyl 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 91470250
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57036549) is 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccccc2)NO1.
What is the InChIKey of 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is JKOFSRGUXJVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h1-6,9,11H,(H,12,13).
What are the key properties of 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57036549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).