N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C23H30N4O2 — CID 24948552

IUPACN-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C23H30N4O2/c1-23(2,13-20-26-22(27-29-20)18-5-3-4-6-24-18)12-19(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,28)
InChIKeyGAONNMVXNFBDLU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.03
Rot. Bonds6

About N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 24948552) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID24948552
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C23H30N4O2/c1-23(2,13-20-26-22(27-29-20)18-5-3-4-6-24-18)12-19(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,28)
InChIKeyGAONNMVXNFBDLU-UHFFFAOYSA-N
XLogP4.03
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Adamantan-1-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 2869413
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 666965
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 666501
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylbutanamide
CID 667196
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-2-yl]propanamide
CID 145987993
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-yl)butanamide
CID 666208
N-[(1S)-1-phenylethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 57394220
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 45817143
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 45817146
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 45817147
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 45817228
4-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 47035639

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 24948552) is N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is GAONNMVXNFBDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-23(2,13-20-26-22(27-29-20)18-5-3-4-6-24-18)12-19(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h3-6,14-17,21H,7-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 394.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3,3-dimethyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 24948552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).