N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

C18H22FN3O2 — CID 3240526

IUPACN-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCCC1
InChIInChI=1S/C18H22FN3O2/c19-15-10-6-5-9-14(15)18-21-17(24-22-18)12-11-16(23)20-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,20,23)
InChIKeyONHQGFMYIYCMSX-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.65
Rot. Bonds5

About N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3240526) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3240526
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCCC1
InChIInChI=1S/C18H22FN3O2/c19-15-10-6-5-9-14(15)18-21-17(24-22-18)12-11-16(23)20-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,20,23)
InChIKeyONHQGFMYIYCMSX-UHFFFAOYSA-N
XLogP3.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3240526) is N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ONHQGFMYIYCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-10-6-5-9-14(15)18-21-17(24-22-18)12-11-16(23)20-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,20,23).
What are the key properties of N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3240526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).