5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine

C25H24F2N4O — CID 166731297

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H24F2N4O/c1-15(29-25-31-30-24(32-25)18-6-8-19(26)9-7-18)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(27)14-22(21)23/h6-17H,2-5H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1
InChIKeyICLLMPKMMLGJRH-KLAILNCOSA-N
MW434.49 g/mol
LogP6.34
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine

5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 166731297) has the molecular formula C25H24F2N4O and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID166731297
Molecular FormulaC25H24F2N4O
Molecular Weight434.49 g/mol
Exact Mass434.19
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H24F2N4O/c1-15(29-25-31-30-24(32-25)18-6-8-19(26)9-7-18)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(27)14-22(21)23/h6-17H,2-5H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1
InChIKeyICLLMPKMMLGJRH-KLAILNCOSA-N
XLogP6.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 166731297) is 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(-c2ccc(F)cc2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ICLLMPKMMLGJRH-KLAILNCOSA-N. The full InChI is InChI=1S/C25H24F2N4O/c1-15(29-25-31-30-24(32-25)18-6-8-19(26)9-7-18)16-2-4-17(5-3-16)21-12-13-28-23-11-10-20(27)14-22(21)23/h6-17H,2-5H2,1H3,(H,29,31)/t15-,16?,17?/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 434.49 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166731297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).