1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid

C24H20N2O3 — CID 16738333

IUPAC1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3cc4cc(-c5cccnc5)ccc4o3)cc2)C1
InChIInChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)
InChIKeyZJMZEWHLHVCIQJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.68
Rot. Bonds5

About 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 16738333) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID16738333
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3cc4cc(-c5cccnc5)ccc4o3)cc2)C1
InChIInChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)
InChIKeyZJMZEWHLHVCIQJ-UHFFFAOYSA-N
XLogP4.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid (CID 16738333) is 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(-c3cc4cc(-c5cccnc5)ccc4o3)cc2)C1.
What is the InChIKey of 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is ZJMZEWHLHVCIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28).
What are the key properties of 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-pyridin-3-yl-1-benzofuran-2-yl)phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 16738333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).