2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

C17H14FNO2 — CID 57230092

IUPAC2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(Cc3ccccc3)o2)cc1F
InChIInChI=1S/C17H14FNO2/c1-20-15-8-7-13(10-14(15)18)16-11-19-17(21-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyAOYKQUQSGQDWKJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.08
Rot. Bonds4

About 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole

2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (PubChem CID 57230092) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
PubChem CID57230092
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2cnc(Cc3ccccc3)o2)cc1F
InChIInChI=1S/C17H14FNO2/c1-20-15-8-7-13(10-14(15)18)16-11-19-17(21-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyAOYKQUQSGQDWKJ-UHFFFAOYSA-N
XLogP4.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole (CID 57230092) is 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2cnc(Cc3ccccc3)o2)cc1F.
What is the InChIKey of 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
The InChIKey is AOYKQUQSGQDWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-20-15-8-7-13(10-14(15)18)16-11-19-17(21-16)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole?
2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole has a molecular weight of 283.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 57230092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).