4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C24H21FN4O2 — CID 72946274

IUPAC4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1ccc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O2/c25-19-3-1-17(2-4-19)22-16-31-28-24(22)18-9-10-26-23(15-18)27-20-5-7-21(8-6-20)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H,26,27)
InChIKeyRHSCMZYLDDYLKM-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.12
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946274) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID72946274
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1ccc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O2/c25-19-3-1-17(2-4-19)22-16-31-28-24(22)18-9-10-26-23(15-18)27-20-5-7-21(8-6-20)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H,26,27)
InChIKeyRHSCMZYLDDYLKM-UHFFFAOYSA-N
XLogP5.12
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946274) is 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1ccc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is RHSCMZYLDDYLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-3-1-17(2-4-19)22-16-31-28-24(22)18-9-10-26-23(15-18)27-20-5-7-21(8-6-20)29-11-13-30-14-12-29/h1-10,15-16H,11-14H2,(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 416.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).