4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline

C15H11FN2O — CID 142469504

IUPAC4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline
SMILESNc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1
InChIInChI=1S/C15H11FN2O/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9H,17H2
InChIKeyLRXLRUAZAVBMBC-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.73
Rot. Bonds2

About 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline

4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline (PubChem CID 142469504) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline
PubChem CID142469504
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline
SMILESNc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1
InChIInChI=1S/C15H11FN2O/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9H,17H2
InChIKeyLRXLRUAZAVBMBC-UHFFFAOYSA-N
XLogP3.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline?
The IUPAC name of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline (CID 142469504) is 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline is Nc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline?
The InChIKey is LRXLRUAZAVBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-3-1-2-11(8-12)15-9-14(18-19-15)10-4-6-13(17)7-5-10/h1-9H,17H2.
What are the key properties of 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline?
4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline has a molecular weight of 254.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 142469504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).