1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H18FN3O — CID 61291590

IUPAC1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(Cc3ccc(F)cc3)no2)CCCCC1
InChIInChI=1S/C15H18FN3O/c16-12-6-4-11(5-7-12)10-13-18-14(20-19-13)15(17)8-2-1-3-9-15/h4-7H,1-3,8-10,17H2
InChIKeyNWXOMJPUAGSVEL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.92
Rot. Bonds3

About 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 61291590) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID61291590
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1(c2nc(Cc3ccc(F)cc3)no2)CCCCC1
InChIInChI=1S/C15H18FN3O/c16-12-6-4-11(5-7-12)10-13-18-14(20-19-13)15(17)8-2-1-3-9-15/h4-7H,1-3,8-10,17H2
InChIKeyNWXOMJPUAGSVEL-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 62553229
1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161653
1-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161299
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 82787634
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63021786
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62503204
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 61291586
ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436481
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
[1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444540

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 61291590) is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1(c2nc(Cc3ccc(F)cc3)no2)CCCCC1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is NWXOMJPUAGSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-6-4-11(5-7-12)10-13-18-14(20-19-13)15(17)8-2-1-3-9-15/h4-7H,1-3,8-10,17H2.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 61291590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).