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

C24H26FN3O4 — CID 6494663

IUPACN-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1OC
InChIInChI=1S/C24H26FN3O4/c1-30-20-12-11-16(14-21(20)31-2)23-26-22(32-27-23)15-28(19-9-4-3-5-10-19)24(29)17-7-6-8-18(25)13-17/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3
InChIKeyWJUIUSNOFXAYTE-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.87
Rot. Bonds7

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

N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide (PubChem CID 6494663) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
PubChem CID6494663
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC NameN-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1OC
InChIInChI=1S/C24H26FN3O4/c1-30-20-12-11-16(14-21(20)31-2)23-26-22(32-27-23)15-28(19-9-4-3-5-10-19)24(29)17-7-6-8-18(25)13-17/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3
InChIKeyWJUIUSNOFXAYTE-UHFFFAOYSA-N
XLogP4.87
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950
1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 8895983
1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea
CID 17275257
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
N-cyclohexyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83285428
N-benzyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 55865766
N-cyclohexyl-3-fluoro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290146
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-methylbenzamide
CID 6494655
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83285433

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide (CID 6494663) is N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide is COc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1OC.
What is the InChIKey of N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide?
The InChIKey is WJUIUSNOFXAYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-30-20-12-11-16(14-21(20)31-2)23-26-22(32-27-23)15-28(19-9-4-3-5-10-19)24(29)17-7-6-8-18(25)13-17/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide?
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide has a molecular weight of 439.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 6494663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).