5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine

C15H12FN3O — CID 139441285

IUPAC5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESNc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H12FN3O/c16-11-4-6-13(7-5-11)19-15-18-9-14(20-15)10-2-1-3-12(17)8-10/h1-9H,17H2,(H,18,19)
InChIKeyHSTWDGASCHCZHZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.81
Rot. Bonds3

About 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine

5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 139441285) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID139441285
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESNc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C15H12FN3O/c16-11-4-6-13(7-5-11)19-15-18-9-14(20-15)10-2-1-3-12(17)8-10/h1-9H,17H2,(H,18,19)
InChIKeyHSTWDGASCHCZHZ-UHFFFAOYSA-N
XLogP3.81
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine (CID 139441285) is 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine is Nc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is HSTWDGASCHCZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-4-6-13(7-5-11)19-15-18-9-14(20-15)10-2-1-3-12(17)8-10/h1-9H,17H2,(H,18,19).
What are the key properties of 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 269.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-(4-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 139441285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).