N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide

C25H33N3O3 — CID 24948549

IUPACN-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(-c2noc(CC(C)(C)CC(=O)NC3C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C25H33N3O3/c1-25(2,14-22-27-24(28-31-22)17-4-6-20(30-3)7-5-17)13-21(29)26-23-18-9-15-8-16(11-18)12-19(23)10-15/h4-7,15-16,18-19,23H,8-14H2,1-3H3,(H,26,29)
InChIKeyOBMAFPHBPIABMS-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.64
Rot. Bonds7

About N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide

N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide (PubChem CID 24948549) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
PubChem CID24948549
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(-c2noc(CC(C)(C)CC(=O)NC3C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C25H33N3O3/c1-25(2,14-22-27-24(28-31-22)17-4-6-20(30-3)7-5-17)13-21(29)26-23-18-9-15-8-16(11-18)12-19(23)10-15/h4-7,15-16,18-19,23H,8-14H2,1-3H3,(H,26,29)
InChIKeyOBMAFPHBPIABMS-UHFFFAOYSA-N
XLogP4.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanoic acid
CID 62934063
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
CID 11923534
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46276348
4-[5-(2-methoxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 103022311
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 110610658
4-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 54595268
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513928
3-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119250010
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide (CID 24948549) is N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide is COc1ccc(-c2noc(CC(C)(C)CC(=O)NC3C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is OBMAFPHBPIABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-25(2,14-22-27-24(28-31-22)17-4-6-20(30-3)7-5-17)13-21(29)26-23-18-9-15-8-16(11-18)12-19(23)10-15/h4-7,15-16,18-19,23H,8-14H2,1-3H3,(H,26,29).
What are the key properties of N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 423.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 24948549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).