3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole

C17H11FN2O — CID 71454616

IUPAC3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1
InChIInChI=1S/C17H11FN2O/c18-14-4-1-11(2-5-14)16-10-17(21-20-16)13-3-6-15-12(9-13)7-8-19-15/h1-10,19H
InChIKeyWQMZUPIKZJJFAN-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.63
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole

3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole (PubChem CID 71454616) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole
PubChem CID71454616
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole
SMILESFc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1
InChIInChI=1S/C17H11FN2O/c18-14-4-1-11(2-5-14)16-10-17(21-20-16)13-3-6-15-12(9-13)7-8-19-15/h1-10,19H
InChIKeyWQMZUPIKZJJFAN-UHFFFAOYSA-N
XLogP4.63
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole (CID 71454616) is 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole is Fc1ccc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole?
The InChIKey is WQMZUPIKZJJFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c18-14-4-1-11(2-5-14)16-10-17(21-20-16)13-3-6-15-12(9-13)7-8-19-15/h1-10,19H.
What are the key properties of 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole?
3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole has a molecular weight of 278.29 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1H-indol-5-yl)-1,2-oxazole is sourced from PubChem (CID 71454616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).