2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole

C19H23N3O — CID 19552825

IUPAC2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCC12CC3CC(C)(C1)CC(c1nnc(-c4ccccn4)o1)(C3)C2
InChIInChI=1S/C19H23N3O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16-22-21-15(23-16)14-5-3-4-6-20-14/h3-6,13H,7-12H2,1-2H3
InChIKeyXHYHDQWUANBVFD-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.38
Rot. Bonds2

About 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole

2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19552825) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19552825
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCC12CC3CC(C)(C1)CC(c1nnc(-c4ccccn4)o1)(C3)C2
InChIInChI=1S/C19H23N3O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16-22-21-15(23-16)14-5-3-4-6-20-14/h3-6,13H,7-12H2,1-2H3
InChIKeyXHYHDQWUANBVFD-UHFFFAOYSA-N
XLogP4.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-adamantyl)-5-methyl-1,3,4-oxadiazole
CID 19552810
2-[(5R,7R)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 98311309
2-[3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 19542131
2-[3-methyl-1-[(4-methylpyrimidin-2-yl)methyl]azetidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 167937516
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151
3,5-dimethyl-N-(pyridin-2-ylmethyl)adamantan-1-amine
CID 4723801
5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine
CID 44782527
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
2-(6-pyridin-2-yl-2-pyridinyl)-5-[6-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1,3,4-oxadiazole
CID 59514881
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
2-(2-piperidin-2-ylethyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 82132508
2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 58077170

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19552825) is 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole is CC12CC3CC(C)(C1)CC(c1nnc(-c4ccccn4)o1)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is XHYHDQWUANBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)16-22-21-15(23-16)14-5-3-4-6-20-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole?
2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 309.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19552825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).