N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine

C26H24FN3O — CID 102276520

IUPACN-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
SMILESFc1ccccc1C1=C(NC2CCCCC2)N2c3c(ccc4cccnc34)C=CC2O1
InChIInChI=1S/C26H24FN3O/c27-21-11-5-4-10-20(21)25-26(29-19-8-2-1-3-9-19)30-22(31-25)15-14-18-13-12-17-7-6-16-28-23(17)24(18)30/h4-7,10-16,19,22,29H,1-3,8-9H2
InChIKeyLIPHWYOHGHOOKR-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.81
Rot. Bonds3

About N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine

N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine (PubChem CID 102276520) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine.

Molecular Properties

Compound NameN-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
PubChem CID102276520
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC NameN-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine
SMILESFc1ccccc1C1=C(NC2CCCCC2)N2c3c(ccc4cccnc34)C=CC2O1
InChIInChI=1S/C26H24FN3O/c27-21-11-5-4-10-20(21)25-26(29-19-8-2-1-3-9-19)30-22(31-25)15-14-18-13-12-17-7-6-16-28-23(17)24(18)30/h4-7,10-16,19,22,29H,1-3,8-9H2
InChIKeyLIPHWYOHGHOOKR-UHFFFAOYSA-N
XLogP5.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The IUPAC name of N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine (CID 102276520) is N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine.
What is the SMILES notation for N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The canonical SMILES for N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine is Fc1ccccc1C1=C(NC2CCCCC2)N2c3c(ccc4cccnc34)C=CC2O1.
What is the InChIKey of N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
The InChIKey is LIPHWYOHGHOOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-21-11-5-4-10-20(21)25-26(29-19-8-2-1-3-9-19)30-22(31-25)15-14-18-13-12-17-7-6-16-28-23(17)24(18)30/h4-7,10-16,19,22,29H,1-3,8-9H2.
What are the key properties of N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine?
N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine has a molecular weight of 413.50 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-10-(2-fluorophenyl)-8aH-[1,3]oxazolo[3,2-a][1,10]phenanthrolin-11-amine is sourced from PubChem (CID 102276520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).