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

C18H15NO5 — CID 141107611

IUPAC4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H15NO5/c1-22-13-7-3-11(4-8-13)15-16(24-17(19-15)18(20)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,20,21)
InChIKeyNMLWECNWNJXSSN-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.72
Rot. Bonds5

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

4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 141107611) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
PubChem CID141107611
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H15NO5/c1-22-13-7-3-11(4-8-13)15-16(24-17(19-15)18(20)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,20,21)
InChIKeyNMLWECNWNJXSSN-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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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid (CID 141107611) is 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid is COc1ccc(-c2nc(C(=O)O)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is NMLWECNWNJXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-7-3-11(4-8-13)15-16(24-17(19-15)18(20)21)12-5-9-14(23-2)10-6-12/h3-10H,1-2H3,(H,20,21).
What are the key properties of 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid?
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-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 4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 141107611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).