2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole

C19H20FN3O — CID 162465058

IUPAC2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](c1nnco1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H20FN3O/c1-12(19-23-22-11-24-19)13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(20)10-17(16)18/h6-14H,2-5H2,1H3/t12-,13?,14?/m1/s1
InChIKeyYVCKBKDPBOKREF-IYXRBSQSSA-N
MW325.39 g/mol
LogP4.83
Rot. Bonds3

About 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole

2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole (PubChem CID 162465058) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
PubChem CID162465058
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
SMILESC[C@@H](c1nnco1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H20FN3O/c1-12(19-23-22-11-24-19)13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(20)10-17(16)18/h6-14H,2-5H2,1H3/t12-,13?,14?/m1/s1
InChIKeyYVCKBKDPBOKREF-IYXRBSQSSA-N
XLogP4.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propan-2-amine;hydrochloride
CID 168891038
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
6-fluoro-4-[4-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexyl]quinoline
CID 166746621
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
ethane;[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanamine
CID 142561485
4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
CID 138664462
4-[4-[(1R)-1-(3,4-dihydronaphthalen-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 175040529
5-(4-fluorophenyl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 166731297
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole (CID 162465058) is 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole is C[C@@H](c1nnco1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is YVCKBKDPBOKREF-IYXRBSQSSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-12(19-23-22-11-24-19)13-2-4-14(5-3-13)16-8-9-21-18-7-6-15(20)10-17(16)18/h6-14H,2-5H2,1H3/t12-,13?,14?/m1/s1.
What are the key properties of 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole?
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 325.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162465058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).