3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine

C21H23FN4O — CID 11268602

IUPAC3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine
SMILESFCCNc1ncccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C21H23FN4O/c22-12-14-24-19-18(7-4-13-23-19)20-25-21(27-26-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H,23,24)
InChIKeyNYARKHOGWGTQHD-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.23
Rot. Bonds6

About 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine

3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine (PubChem CID 11268602) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine
PubChem CID11268602
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine
SMILESFCCNc1ncccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C21H23FN4O/c22-12-14-24-19-18(7-4-13-23-19)20-25-21(27-26-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H,23,24)
InChIKeyNYARKHOGWGTQHD-UHFFFAOYSA-N
XLogP5.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine with MolForge

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Related Compounds

NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088
5-Naphthalen-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 926663
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
CID 11363856
5-(3,4-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 888298
5-(2,4-Dimethylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 925365
4-{5-[2-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1486742

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine (CID 11268602) is 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine is FCCNc1ncccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine?
The InChIKey is NYARKHOGWGTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-12-14-24-19-18(7-4-13-23-19)20-25-21(27-26-20)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H,23,24).
What are the key properties of 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine?
3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-fluoroethyl)pyridin-2-amine is sourced from PubChem (CID 11268602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).