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

C22H22FN3O2 — CID 173106090

IUPAC4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22FN3O2/c23-19-12-6-15(7-13-19)14-20-25-26-22(28-20)24-21(27)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,24,26,27)
InChIKeyGZXPQJRSOINWRV-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.10
Rot. Bonds5

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

4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 173106090) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID173106090
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H22FN3O2/c23-19-12-6-15(7-13-19)14-20-25-26-22(28-20)24-21(27)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,24,26,27)
InChIKeyGZXPQJRSOINWRV-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 173106090) is 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GZXPQJRSOINWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-12-6-15(7-13-19)14-20-25-26-22(28-20)24-21(27)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,24,26,27).
What are the key properties of 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 379.44 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 173106090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).