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

C26H26FN5O2 — CID 72946452

IUPAC4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
SMILESCN(C)c1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O2/c1-31(2)26-24(18-3-5-20(27)6-4-18)25(30-34-26)19-11-12-28-23(17-19)29-21-7-9-22(10-8-21)32-13-15-33-16-14-32/h3-12,17H,13-16H2,1-2H3,(H,28,29)
InChIKeySAHIOUDYBIEVOE-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.19
Rot. Bonds6

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

4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine (PubChem CID 72946452) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
PubChem CID72946452
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine
SMILESCN(C)c1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O2/c1-31(2)26-24(18-3-5-20(27)6-4-18)25(30-34-26)19-11-12-28-23(17-19)29-21-7-9-22(10-8-21)32-13-15-33-16-14-32/h3-12,17H,13-16H2,1-2H3,(H,28,29)
InChIKeySAHIOUDYBIEVOE-UHFFFAOYSA-N
XLogP5.19
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
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,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine (CID 72946452) is 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine is CN(C)c1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
The InChIKey is SAHIOUDYBIEVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-31(2)26-24(18-3-5-20(27)6-4-18)25(30-34-26)19-11-12-28-23(17-19)29-21-7-9-22(10-8-21)32-13-15-33-16-14-32/h3-12,17H,13-16H2,1-2H3,(H,28,29).
What are the key properties of 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine?
4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine has a molecular weight of 459.53 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,N-dimethyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 72946452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).