2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole

C17H11FN2O — CID 91675069

IUPAC2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1
InChIInChI=1S/C17H11FN2O/c18-13-5-3-12(4-6-13)17-19-15-8-7-14(11-16(15)21-17)20-9-1-2-10-20/h1-11H
InChIKeyILGXEWOUDUARML-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.42
Rot. Bonds2

About 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole

2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole (PubChem CID 91675069) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
PubChem CID91675069
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole
SMILESFc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1
InChIInChI=1S/C17H11FN2O/c18-13-5-3-12(4-6-13)17-19-15-8-7-14(11-16(15)21-17)20-9-1-2-10-20/h1-11H
InChIKeyILGXEWOUDUARML-UHFFFAOYSA-N
XLogP4.42
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole (CID 91675069) is 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole is Fc1ccc(-c2nc3ccc(-n4cccc4)cc3o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
The InChIKey is ILGXEWOUDUARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c18-13-5-3-12(4-6-13)17-19-15-8-7-14(11-16(15)21-17)20-9-1-2-10-20/h1-11H.
What are the key properties of 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole?
2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole has a molecular weight of 278.29 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-pyrrol-1-yl-1,3-benzoxazole is sourced from PubChem (CID 91675069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).