5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid

C11H9NO3 — CID 973883

IUPAC5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
InChIKeyDDCNRVJWVNUYDO-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 973883) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID973883
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
InChIKeyDDCNRVJWVNUYDO-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-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
3-Phenylisoxazole-5-carboxylic Acid
CID 737474
3',5-Dimethyl-3,5'-biisoxazole-4'-carboxylic acid
CID 2744621
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
5-[2-Cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]isoxazole-3-carboxylic acid
CID 17759602
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
5-(3-Methoxyphenyl)isoxazole-3-carboxylic acid
CID 1090979

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 973883) is 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DDCNRVJWVNUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-methylphenyl)-1,2-oxazole-3-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)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 973883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).