5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid

C11H9NO3 — CID 2739750

IUPAC5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2ocnc2C(=O)O)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-9(11(13)14)12-6-15-10/h2-6H,1H3,(H,13,14)
InChIKeySEGAPYFKYCVPBR-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid

5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 2739750) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID2739750
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2ocnc2C(=O)O)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-9(11(13)14)12-6-15-10/h2-6H,1H3,(H,13,14)
InChIKeySEGAPYFKYCVPBR-UHFFFAOYSA-N
XLogP2.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
Ethyl 5-Methyl-2-(p-tolyl)oxazole-4-carboxylate
CID 58934123
Methyl 4-(1,3-oxazol-5-yl)benzoate
CID 1477779
5-(3-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739757
5-Phenyl-1,3-oxazole-4-carboxylic acid
CID 2776299
4-(1,3-Oxazol-5-yl)benzoic Acid
CID 2776414
Ethyl 5-phenyl-1,3-oxazole-4-carboxylate
CID 2796947
5-(2-Fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 22714196
5-Phenyl-1,3-oxazole-4-carbonitrile
CID 4204481
5-[3-(Trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2739753
5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739756
5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 2779782

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid (CID 2739750) is 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid is Cc1ccc(-c2ocnc2C(=O)O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is SEGAPYFKYCVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-9(11(13)14)12-6-15-10/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid?
5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 2739750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).