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

C18H15NO4 — CID 152915211

IUPAC2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oc(Cc3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C18H15NO4/c1-22-14-9-7-13(8-10-14)17-16(18(20)21)19-15(23-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUHZMJNFRLMQDGI-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.64
Rot. Bonds5

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

2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 152915211) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID152915211
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oc(Cc3ccccc3)nc2C(=O)O)cc1
InChIInChI=1S/C18H15NO4/c1-22-14-9-7-13(8-10-14)17-16(18(20)21)19-15(23-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyUHZMJNFRLMQDGI-UHFFFAOYSA-N
XLogP3.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701883
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 66929171
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
5-(4-fluorophenyl)-2-(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
CID 90337833
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484318
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 152915211) is 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is COc1ccc(-c2oc(Cc3ccccc3)nc2C(=O)O)cc1.
What is the InChIKey of 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is UHZMJNFRLMQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-14-9-7-13(8-10-14)17-16(18(20)21)19-15(23-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid?
2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 152915211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).