3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole

C21H17ClFN5O — CID 68791665

IUPAC3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3noc(C4CCCC4)n3)nc2)[nH]1
InChIInChI=1S/C21H17ClFN5O/c22-14-6-3-7-15(23)18(14)20-25-11-17(26-20)13-8-9-16(24-10-13)19-27-21(29-28-19)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,25,26)
InChIKeyXCKHMBFCBCBOCM-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.64
Rot. Bonds4

About 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole

3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole (PubChem CID 68791665) has the molecular formula C21H17ClFN5O and a molecular weight of 409.85 g/mol. Its IUPAC name is 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole
PubChem CID68791665
Molecular FormulaC21H17ClFN5O
Molecular Weight409.85 g/mol
Exact Mass409.11
IUPAC Name3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(-c3noc(C4CCCC4)n3)nc2)[nH]1
InChIInChI=1S/C21H17ClFN5O/c22-14-6-3-7-15(23)18(14)20-25-11-17(26-20)13-8-9-16(24-10-13)19-27-21(29-28-19)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,25,26)
InChIKeyXCKHMBFCBCBOCM-UHFFFAOYSA-N
XLogP5.64
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine
CID 52948776
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
5-(4-benzylphenyl)-2-(2-chloro-6-fluorophenyl)-1H-imidazole
CID 52941240
2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
CID 70833629
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 53417950
3-(3-chloro-4-fluorophenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165487010
2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
CID 68789449
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-[5-(3-fluorophenyl)-2-pyridinyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71088454
3-[2-(3-chlorophenyl)-6-fluorophenyl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 46891023
2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
CID 68789188
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 100984757

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole?
The IUPAC name of 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole (CID 68791665) is 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(-c3noc(C4CCCC4)n3)nc2)[nH]1.
What is the InChIKey of 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole?
The InChIKey is XCKHMBFCBCBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O/c22-14-6-3-7-15(23)18(14)20-25-11-17(26-20)13-8-9-16(24-10-13)19-27-21(29-28-19)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H,25,26).
What are the key properties of 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole?
3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole has a molecular weight of 409.85 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole is sourced from PubChem (CID 68791665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).