3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine

C17H22FN3O — CID 166239044

IUPAC3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2(c3ccc(F)cc3)CCCCC2)no1
InChIInChI=1S/C17H22FN3O/c18-14-8-6-13(7-9-14)17(10-2-1-3-11-17)16-20-15(22-21-16)5-4-12-19/h6-9H,1-5,10-12,19H2
InChIKeyFOLRZPLYBHITEI-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.35
Rot. Bonds5

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

3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 166239044) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID166239044
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2(c3ccc(F)cc3)CCCCC2)no1
InChIInChI=1S/C17H22FN3O/c18-14-8-6-13(7-9-14)17(10-2-1-3-11-17)16-20-15(22-21-16)5-4-12-19/h6-9H,1-5,10-12,19H2
InChIKeyFOLRZPLYBHITEI-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 166239044) is 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(C2(c3ccc(F)cc3)CCCCC2)no1.
What is the InChIKey of 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is FOLRZPLYBHITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-14-8-6-13(7-9-14)17(10-2-1-3-11-17)16-20-15(22-21-16)5-4-12-19/h6-9H,1-5,10-12,19H2.
What are the key properties of 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 166239044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).