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

C15H11FN2O — CID 100802212

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
SMILESNc1cccc(-c2cnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H11FN2O/c16-12-6-4-10(5-7-12)15-18-9-14(19-15)11-2-1-3-13(17)8-11/h1-9H,17H2
InChIKeyBLAQFBORORAMDP-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.73
Rot. Bonds2

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

3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline (PubChem CID 100802212) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
PubChem CID100802212
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
SMILESNc1cccc(-c2cnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H11FN2O/c16-12-6-4-10(5-7-12)15-18-9-14(19-15)11-2-1-3-13(17)8-11/h1-9H,17H2
InChIKeyBLAQFBORORAMDP-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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Related Compounds

3-(2-methoxy-1,3-oxazol-5-yl)aniline
CID 154683552
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]aniline
CID 103386906
3-[2-(4-fluorophenyl)-4-pyridinyl]aniline
CID 175199731
3-(2-propyl-1,3-oxazol-5-yl)aniline
CID 154683063
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(1-ethylpyridin-1-ium-3-yl)-5-(4-fluorophenyl)-1,3-oxazole
CID 3343233
[2-(4-fluorophenyl)-1,3-oxazol-5-yl]methanamine
CID 82075704
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
CID 102314200
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
5-(3-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175523591
2-(3-aminophenyl)-4-fluoroaniline
CID 68785207

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline (CID 100802212) is 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline is Nc1cccc(-c2cnc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline?
The InChIKey is BLAQFBORORAMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-6-4-10(5-7-12)15-18-9-14(19-15)11-2-1-3-13(17)8-11/h1-9H,17H2.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline?
3-[2-(4-fluorophenyl)-1,3-oxazol-5-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 3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 100802212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).