5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H9NO3 — CID 13081532

IUPAC5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESC1C(ON=C1C(=O)O)C2=CC=CC=C2
InChIInChI=1S/C10H9NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13)
InChIKeyVRODIKIAQUNGJI-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.30
Rot. Bonds2

About 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 13081532) has the molecular formula C10H9NO3 and a molecular weight of 191.18 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID13081532
Molecular FormulaC10H9NO3
Molecular Weight191.18 g/mol
Exact Mass191.06
IUPAC Name5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESC1C(ON=C1C(=O)O)C2=CC=CC=C2
InChIInChI=1S/C10H9NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13)
InChIKeyVRODIKIAQUNGJI-UHFFFAOYSA-N
XLogP1.30
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity256

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isoxadifen-ethyl
CID 6451155
2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6416112
(2e)-2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6399465
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CID 555517
4-Hydroxy-4-phenyl-butyric acid
CID 6483718
Cambridge id 5325547
CID 2841581
2-Hydroxyimino-3-phenylpropanoic acid
CID 6834298
1-[5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 66618449
3-Benzyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 102568581
2-(Benzyloxyimino)-2-phenylacetic acid
CID 6163621
Ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270952
Benzyl 5-[4-(5-oxooxolan-2-yl)butyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 44580416

Frequently Asked Questions

What is the IUPAC name of 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 13081532) is 5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is C1C(ON=C1C(=O)O)C2=CC=CC=C2.
What is the InChIKey of 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VRODIKIAQUNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13).
What are the key properties of 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 191.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 13081532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).