4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine

C25H24FN5O2 — CID 72946453

IUPAC4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
SMILESCNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-27-25-23(17-2-4-19(26)5-3-17)24(30-33-25)18-10-11-28-22(16-18)29-20-6-8-21(9-7-20)31-12-14-32-15-13-31/h2-11,16,27H,12-15H2,1H3,(H,28,29)
InChIKeySUSNDQCWEIEVDO-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.16
Rot. Bonds6

About 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine

4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine (PubChem CID 72946453) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
PubChem CID72946453
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
SMILESCNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O2/c1-27-25-23(17-2-4-19(26)5-3-17)24(30-33-25)18-10-11-28-22(16-18)29-20-6-8-21(9-7-20)31-12-14-32-15-13-31/h2-11,16,27H,12-15H2,1H3,(H,28,29)
InChIKeySUSNDQCWEIEVDO-UHFFFAOYSA-N
XLogP5.16
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine (CID 72946453) is 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine is CNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The InChIKey is SUSNDQCWEIEVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-27-25-23(17-2-4-19(26)5-3-17)24(30-33-25)18-10-11-28-22(16-18)29-20-6-8-21(9-7-20)31-12-14-32-15-13-31/h2-11,16,27H,12-15H2,1H3,(H,28,29).
What are the key properties of 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine has a molecular weight of 445.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 72946453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).