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

C27H33N3O2 — CID 8835715

IUPAC4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)n2)cc1
InChIInChI=1S/C27H33N3O2/c1-19-10-12-20(13-11-19)25-28-24(32-29-25)18-30(23-8-6-5-7-9-23)26(31)21-14-16-22(17-15-21)27(2,3)4/h10-17,23H,5-9,18H2,1-4H3
InChIKeyVSLWIIZVCIGRHI-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.32
Rot. Bonds5

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

4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 8835715) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID8835715
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)n2)cc1
InChIInChI=1S/C27H33N3O2/c1-19-10-12-20(13-11-19)25-28-24(32-29-25)18-30(23-8-6-5-7-9-23)26(31)21-14-16-22(17-15-21)27(2,3)4/h10-17,23H,5-9,18H2,1-4H3
InChIKeyVSLWIIZVCIGRHI-UHFFFAOYSA-N
XLogP6.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-nitrobenzamide
CID 8836075
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-3,5-dimethylbenzamide
CID 8875279
4-tert-butyl-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835712
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
3-tert-butyl-1-cyclohexyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895649

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 8835715) is 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is Cc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is VSLWIIZVCIGRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-19-10-12-20(13-11-19)25-28-24(32-29-25)18-30(23-8-6-5-7-9-23)26(31)21-14-16-22(17-15-21)27(2,3)4/h10-17,23H,5-9,18H2,1-4H3.
What are the key properties of 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 8835715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).