3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

C21H20FN3O2 — CID 53182013

IUPAC3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESO=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O2/c22-17-11-7-10-16(14-17)19(26)24-21(12-5-2-6-13-21)20-23-18(25-27-20)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,24,26)
InChIKeyQMVHEYMEFGJCMO-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.47
Rot. Bonds4

About 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide

3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (PubChem CID 53182013) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
PubChem CID53182013
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
SMILESO=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C21H20FN3O2/c22-17-11-7-10-16(14-17)19(26)24-21(12-5-2-6-13-21)20-23-18(25-27-20)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,24,26)
InChIKeyQMVHEYMEFGJCMO-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide (CID 53182013) is 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
The InChIKey is QMVHEYMEFGJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-11-7-10-16(14-17)19(26)24-21(12-5-2-6-13-21)20-23-18(25-27-20)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,24,26).
What are the key properties of 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide?
3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide has a molecular weight of 365.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 53182013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).