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

C25H31FN4O — CID 134284300

IUPAC5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(C2CCCCC2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN4O/c1-16(28-25-30-29-24(31-25)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-27-23-12-11-20(26)15-22(21)23/h11-19H,2-10H2,1H3,(H,28,30)/t16-,17?,18?/m1/s1
InChIKeyWSOPOTOJQASYJB-WWDZGPRUSA-N
MW422.55 g/mol
LogP6.58
Rot. Bonds5

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

5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 134284300) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID134284300
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(C2CCCCC2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H31FN4O/c1-16(28-25-30-29-24(31-25)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-27-23-12-11-20(26)15-22(21)23/h11-19H,2-10H2,1H3,(H,28,30)/t16-,17?,18?/m1/s1
InChIKeyWSOPOTOJQASYJB-WWDZGPRUSA-N
XLogP6.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-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 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 134284300) is 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(C2CCCCC2)o1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WSOPOTOJQASYJB-WWDZGPRUSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-16(28-25-30-29-24(31-25)19-5-3-2-4-6-19)17-7-9-18(10-8-17)21-13-14-27-23-12-11-20(26)15-22(21)23/h11-19H,2-10H2,1H3,(H,28,30)/t16-,17?,18?/m1/s1.
What are the key properties of 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 422.55 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134284300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).