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

C17H14FNO3 — CID 4522027

IUPAC3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole
SMILESCC1(c2ccc3noc(-c4cccc(F)c4)c3c2)OCCO1
InChIInChI=1S/C17H14FNO3/c1-17(20-7-8-21-17)12-5-6-15-14(10-12)16(22-19-15)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3
InChIKeySSFSWEZUKLFWJL-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.85
Rot. Bonds2

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

3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole (PubChem CID 4522027) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole
PubChem CID4522027
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole
SMILESCC1(c2ccc3noc(-c4cccc(F)c4)c3c2)OCCO1
InChIInChI=1S/C17H14FNO3/c1-17(20-7-8-21-17)12-5-6-15-14(10-12)16(22-19-15)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3
InChIKeySSFSWEZUKLFWJL-UHFFFAOYSA-N
XLogP3.85
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 168294215
(2-Amino-2-oxoethyl) 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7502856
5-(2-Methyl-1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
CID 649710
5-(1,3-Dioxolan-2-yl)-3-(4-methylphenyl)-2,1-benzoxazole
CID 1483781
(1-Amino-1-oxopropan-2-yl) 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 16299694
1-[3-(4-Fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 2768915
3-(4-Fluorophenyl)-2,1-benzoxazole-5-carbaldehyde
CID 1491653
1-[3-(4-Methoxyphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 2768155
5-(2-Methyl-1,3-dioxolan-2-yl)-3-(p-tolyl)benzo[c]isoxazole
CID 3749683
1-[3-(3-Methylphenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 5132135
5-(1,3-Dioxolan-2-yl)-3-(4-fluorophenyl)-2,1-benzisoxazole
CID 1491643
1-[3-(3-Fluorophenyl)-2,1-benzisoxazol-5-yl]-1-ethanone
CID 3760022

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole (CID 4522027) is 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is CC1(c2ccc3noc(-c4cccc(F)c4)c3c2)OCCO1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole?
The InChIKey is SSFSWEZUKLFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-17(20-7-8-21-17)12-5-6-15-14(10-12)16(22-19-15)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole?
3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole has a molecular weight of 299.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2-methyl-1,3-dioxolan-2-yl)-2,1-benzoxazole is sourced from PubChem (CID 4522027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).