5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

C15H12F2N4O — CID 89225428

IUPAC5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1ccc(Nc2oc(-c3c(F)cccc3F)nc2N)cc1
InChIInChI=1S/C15H12F2N4O/c16-10-2-1-3-11(17)12(10)14-21-13(19)15(22-14)20-9-6-4-8(18)5-7-9/h1-7,20H,18-19H2
InChIKeyAADYHKBOPIXECQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.53
Rot. Bonds3

About 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (PubChem CID 89225428) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
PubChem CID89225428
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1ccc(Nc2oc(-c3c(F)cccc3F)nc2N)cc1
InChIInChI=1S/C15H12F2N4O/c16-10-2-1-3-11(17)12(10)14-21-13(19)15(22-14)20-9-6-4-8(18)5-7-9/h1-7,20H,18-19H2
InChIKeyAADYHKBOPIXECQ-UHFFFAOYSA-N
XLogP3.53
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The IUPAC name of 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (CID 89225428) is 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The canonical SMILES for 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is Nc1ccc(Nc2oc(-c3c(F)cccc3F)nc2N)cc1.
What is the InChIKey of 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The InChIKey is AADYHKBOPIXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-10-2-1-3-11(17)12(10)14-21-13(19)15(22-14)20-9-6-4-8(18)5-7-9/h1-7,20H,18-19H2.
What are the key properties of 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine has a molecular weight of 302.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminophenyl)-2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is sourced from PubChem (CID 89225428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).