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

C18H15NO5 — CID 11370771

IUPAC5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-13-9-8-12(10-14(13)23-2)16-15(18(20)21)19-17(24-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyXTCWHCJANANIES-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.72
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 11370771) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID11370771
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-13-9-8-12(10-14(13)23-2)16-15(18(20)21)19-17(24-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21)
InChIKeyXTCWHCJANANIES-UHFFFAOYSA-N
XLogP3.72
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53229467
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 11370771) is 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid is COc1ccc(-c2oc(-c3ccccc3)nc2C(=O)O)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is XTCWHCJANANIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-9-8-12(10-14(13)23-2)16-15(18(20)21)19-17(24-16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 11370771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).