benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate

C17H12FNO3 — CID 46201705

IUPACbenzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H12FNO3/c18-14-8-4-7-13(9-14)16-19-15(11-21-16)17(20)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyXEFQDXKEOSMYLS-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.84
Rot. Bonds4

About benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate

benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201705) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
PubChem CID46201705
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Namebenzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H12FNO3/c18-14-8-4-7-13(9-14)16-19-15(11-21-16)17(20)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyXEFQDXKEOSMYLS-UHFFFAOYSA-N
XLogP3.84
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate (CID 46201705) is benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2cccc(F)c2)n1.
What is the InChIKey of benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is XEFQDXKEOSMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-14-8-4-7-13(9-14)16-19-15(11-21-16)17(20)22-10-12-5-2-1-3-6-12/h1-9,11H,10H2.
What are the key properties of benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 297.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).