4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C25H23FN4O2 — CID 72946277

IUPAC4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O2/c1-17-24(18-2-4-20(26)5-3-18)25(29-32-17)19-10-11-27-23(16-19)28-21-6-8-22(9-7-21)30-12-14-31-15-13-30/h2-11,16H,12-15H2,1H3,(H,27,28)
InChIKeyOLSHHRXKZFBOEQ-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.43
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946277) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID72946277
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O2/c1-17-24(18-2-4-20(26)5-3-18)25(29-32-17)19-10-11-27-23(16-19)28-21-6-8-22(9-7-21)30-12-14-31-15-13-30/h2-11,16H,12-15H2,1H3,(H,27,28)
InChIKeyOLSHHRXKZFBOEQ-UHFFFAOYSA-N
XLogP5.43
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.43
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)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946277) is 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is OLSHHRXKZFBOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-24(18-2-4-20(26)5-3-18)25(29-32-17)19-10-11-27-23(16-19)28-21-6-8-22(9-7-21)30-12-14-31-15-13-30/h2-11,16H,12-15H2,1H3,(H,27,28).
What are the key properties of 4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[4-(4-fluorophenyl)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 430.48 g/mol, XLogP of 5.43, 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)-5-methyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).