N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C24H27F2N5O2 — CID 17083152

IUPACN-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(Cn2c(C(F)F)nc3ccccc32)no1
InChIInChI=1S/C24H27F2N5O2/c25-20(26)21-28-17-3-1-2-4-18(17)31(21)13-19-29-23(33-30-19)22(32)27-6-5-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,14-16,20H,5-13H2,(H,27,32)
InChIKeyDAFOVWBGNZBVGV-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.74
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083152) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083152
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(Cn2c(C(F)F)nc3ccccc32)no1
InChIInChI=1S/C24H27F2N5O2/c25-20(26)21-28-17-3-1-2-4-18(17)31(21)13-19-29-23(33-30-19)22(32)27-6-5-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,14-16,20H,5-13H2,(H,27,32)
InChIKeyDAFOVWBGNZBVGV-UHFFFAOYSA-N
XLogP4.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-adamantyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 5306210
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084134
N-[[(2S)-oxolan-2-yl]methyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 40636596
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 6473548
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130471
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 51525248
N-[2-[[2-(4-nitrophenyl)acetyl]amino]ethyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084148
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084160
N-[2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]ethyl]-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084172
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130446
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
CID 112787651
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 17083152) is N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(Cn2c(C(F)F)nc3ccccc32)no1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DAFOVWBGNZBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c25-20(26)21-28-17-3-1-2-4-18(17)31(21)13-19-29-23(33-30-19)22(32)27-6-5-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,14-16,20H,5-13H2,(H,27,32).
What are the key properties of N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).