5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid

C11H11NO3 — CID 3089571

IUPAC5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)
InChIKeyHHSXXVCKNAZBGR-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.65
Rot. Bonds2

About 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid

5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 3089571) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID3089571
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)
InChIKeyHHSXXVCKNAZBGR-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2981857
(2e)-2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6399465
3-(2-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid
CID 649545
(2Z)-2-hydroxyimino-3-(4-methylphenyl)propanoic acid
CID 14900043
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CID 555517
(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
CID 127047493
5-Isoxazolecarboxylic acid, 4,5-dihydro-3-phenyl-, methyl ester
CID 10774602
3-(2-Chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 3164162
(2Z)-2-hydroxyimino-3-(2-methylphenyl)propanoic acid
CID 127047494

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid (CID 3089571) is 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid is CC1(C(=O)O)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is HHSXXVCKNAZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(10(13)14)7-9(12-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 3089571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).