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

C17H20FN3O2 — CID 1249148

IUPACN-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2/c18-14-9-5-4-8-13(14)17-20-16(23-21-17)11-10-15(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)
InChIKeyZKIWWIPUSMTEEJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.26
Rot. Bonds5

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

N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 1249148) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID1249148
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2/c18-14-9-5-4-8-13(14)17-20-16(23-21-17)11-10-15(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)
InChIKeyZKIWWIPUSMTEEJ-UHFFFAOYSA-N
XLogP3.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 1249148) is N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccccc2F)no1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is ZKIWWIPUSMTEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-9-5-4-8-13(14)17-20-16(23-21-17)11-10-15(22)19-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22).
What are the key properties of N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 1249148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).