5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole

C16H12FNO3 — CID 1491643

IUPAC5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1
InChIInChI=1S/C16H12FNO3/c17-12-4-1-10(2-5-12)15-13-9-11(16-19-7-8-20-16)3-6-14(13)18-21-15/h1-6,9,16H,7-8H2
InChIKeyOSJBBSMIHCPHSS-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.68
Rot. Bonds2

About 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole

5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole (PubChem CID 1491643) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole
PubChem CID1491643
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1
InChIInChI=1S/C16H12FNO3/c17-12-4-1-10(2-5-12)15-13-9-11(16-19-7-8-20-16)3-6-14(13)18-21-15/h1-6,9,16H,7-8H2
InChIKeyOSJBBSMIHCPHSS-UHFFFAOYSA-N
XLogP3.68
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole (CID 1491643) is 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole is Fc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole?
The InChIKey is OSJBBSMIHCPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-12-4-1-10(2-5-12)15-13-9-11(16-19-7-8-20-16)3-6-14(13)18-21-15/h1-6,9,16H,7-8H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole?
5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole has a molecular weight of 285.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzoxazole is sourced from PubChem (CID 1491643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).