[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone

C19H11BrFNO3 — CID 69268513

IUPAC[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C19H11BrFNO3/c1-10-16(17(22-25-10)11-5-7-13(20)8-6-11)18(23)15-9-12-3-2-4-14(21)19(12)24-15/h2-9H,1H3
InChIKeyNVZKPDRJGHWKSH-UHFFFAOYSA-N
MW400.20 g/mol
LogP5.53
Rot. Bonds3

About [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone

[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 69268513) has the molecular formula C19H11BrFNO3 and a molecular weight of 400.20 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID69268513
Molecular FormulaC19H11BrFNO3
Molecular Weight400.20 g/mol
Exact Mass398.99
IUPAC Name[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C19H11BrFNO3/c1-10-16(17(22-25-10)11-5-7-13(20)8-6-11)18(23)15-9-12-3-2-4-14(21)19(12)24-15/h2-9H,1H3
InChIKeyNVZKPDRJGHWKSH-UHFFFAOYSA-N
XLogP5.53
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.20
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone (CID 69268513) is [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone is Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is NVZKPDRJGHWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFNO3/c1-10-16(17(22-25-10)11-5-7-13(20)8-6-11)18(23)15-9-12-3-2-4-14(21)19(12)24-15/h2-9H,1H3.
What are the key properties of [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone?
[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 400.20 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 69268513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).