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

C28H28FN5O3 — CID 72946451

IUPAC4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2N2CCOCC2)cc1
InChIInChI=1S/C28H28FN5O3/c29-22-3-1-20(2-4-22)26-27(32-37-28(26)34-13-17-36-18-14-34)21-9-10-30-25(19-21)31-23-5-7-24(8-6-23)33-11-15-35-16-12-33/h1-10,19H,11-18H2,(H,30,31)
InChIKeyOQNXCPKEFDUABP-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.96
Rot. Bonds6

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

4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946451) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID72946451
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC Name4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2N2CCOCC2)cc1
InChIInChI=1S/C28H28FN5O3/c29-22-3-1-20(2-4-22)26-27(32-37-28(26)34-13-17-36-18-14-34)21-9-10-30-25(19-21)31-23-5-7-24(8-6-23)33-11-15-35-16-12-33/h1-10,19H,11-18H2,(H,30,31)
InChIKeyOQNXCPKEFDUABP-UHFFFAOYSA-N
XLogP4.96
TPSA75.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946451) is 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is OQNXCPKEFDUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c29-22-3-1-20(2-4-22)26-27(32-37-28(26)34-13-17-36-18-14-34)21-9-10-30-25(19-21)31-23-5-7-24(8-6-23)33-11-15-35-16-12-33/h1-10,19H,11-18H2,(H,30,31).
What are the key properties of 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 501.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).