4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline

C19H16N2O3 — CID 21108710

IUPAC4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline
SMILESNc1ccc(-c2cnc(COCc3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C19H16N2O3/c20-15-7-5-13(6-8-15)18-10-21-19(24-18)12-22-11-16-9-14-3-1-2-4-17(14)23-16/h1-10H,11-12,20H2
InChIKeySENSRJDIEURXGZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.39
Rot. Bonds5

About 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline

4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline (PubChem CID 21108710) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound Name4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline
PubChem CID21108710
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline
SMILESNc1ccc(-c2cnc(COCc3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C19H16N2O3/c20-15-7-5-13(6-8-15)18-10-21-19(24-18)12-22-11-16-9-14-3-1-2-4-17(14)23-16/h1-10H,11-12,20H2
InChIKeySENSRJDIEURXGZ-UHFFFAOYSA-N
XLogP4.39
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline?
The IUPAC name of 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline (CID 21108710) is 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline?
The canonical SMILES for 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline is Nc1ccc(-c2cnc(COCc3cc4ccccc4o3)o2)cc1.
What is the InChIKey of 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline?
The InChIKey is SENSRJDIEURXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-15-7-5-13(6-8-15)18-10-21-19(24-18)12-22-11-16-9-14-3-1-2-4-17(14)23-16/h1-10H,11-12,20H2.
What are the key properties of 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline?
4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline has a molecular weight of 320.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-2-ylmethoxymethyl)-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 21108710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).