4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

C23H21FN6O — CID 59457863

IUPAC4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C23H21FN6O/c24-17-6-1-14(2-7-17)20-21(29-11-12-31-23(29)26-20)16-5-10-19-27-28-22(30(19)13-16)15-3-8-18(25)9-4-15/h1-2,5-7,10-13,15,18H,3-4,8-9,25H2
InChIKeyJCJJRJSGTTWDPY-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.43
Rot. Bonds3

About 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine

4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (PubChem CID 59457863) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
PubChem CID59457863
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
SMILESNC1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1
InChIInChI=1S/C23H21FN6O/c24-17-6-1-14(2-7-17)20-21(29-11-12-31-23(29)26-20)16-5-10-19-27-28-22(30(19)13-16)15-3-8-18(25)9-4-15/h1-2,5-7,10-13,15,18H,3-4,8-9,25H2
InChIKeyJCJJRJSGTTWDPY-UHFFFAOYSA-N
XLogP4.43
TPSA86.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine (CID 59457863) is 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is NC1CCC(c2nnc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cn23)CC1.
What is the InChIKey of 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
The InChIKey is JCJJRJSGTTWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-17-6-1-14(2-7-17)20-21(29-11-12-31-23(29)26-20)16-5-10-19-27-28-22(30(19)13-16)15-3-8-18(25)9-4-15/h1-2,5-7,10-13,15,18H,3-4,8-9,25H2.
What are the key properties of 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine?
4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine has a molecular weight of 416.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 59457863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).