N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine

C23H19FN6O — CID 58541686

IUPACN-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
SMILESNc1ccc(CCNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1
InChIInChI=1S/C23H19FN6O/c24-17-5-3-16(4-6-17)20-21(30-13-14-31-23(30)29-20)19-10-12-27-22(28-19)26-11-9-15-1-7-18(25)8-2-15/h1-8,10,12-14H,9,11,25H2,(H,26,27,28)
InChIKeyZPFWSKDKKZWZSG-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine

N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine (PubChem CID 58541686) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
PubChem CID58541686
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
SMILESNc1ccc(CCNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1
InChIInChI=1S/C23H19FN6O/c24-17-5-3-16(4-6-17)20-21(30-13-14-31-23(30)29-20)19-10-12-27-22(28-19)26-11-9-15-1-7-18(25)8-2-15/h1-8,10,12-14H,9,11,25H2,(H,26,27,28)
InChIKeyZPFWSKDKKZWZSG-UHFFFAOYSA-N
XLogP4.43
TPSA94.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine (CID 58541686) is N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine is Nc1ccc(CCNc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine?
The InChIKey is ZPFWSKDKKZWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c24-17-5-3-16(4-6-17)20-21(30-13-14-31-23(30)29-20)19-10-12-27-22(28-19)26-11-9-15-1-7-18(25)8-2-15/h1-8,10,12-14H,9,11,25H2,(H,26,27,28).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine?
N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine has a molecular weight of 414.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 58541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).