2,5-bis(2-adamantyl)-1,3,4-oxadiazole

C22H30N2O — CID 16727838

IUPAC2,5-bis(2-adamantyl)-1,3,4-oxadiazole
SMILESC1C2CC3CC1CC(C2)C3c1nnc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C22H30N2O/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-24-22(25-21)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyFAOPGAGGYFTMME-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.15
Rot. Bonds2

About 2,5-bis(2-adamantyl)-1,3,4-oxadiazole

2,5-bis(2-adamantyl)-1,3,4-oxadiazole (PubChem CID 16727838) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2,5-bis(2-adamantyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(2-adamantyl)-1,3,4-oxadiazole
PubChem CID16727838
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2,5-bis(2-adamantyl)-1,3,4-oxadiazole
SMILESC1C2CC3CC1CC(C2)C3c1nnc(C2C3CC4CC(C3)CC2C4)o1
InChIInChI=1S/C22H30N2O/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-24-22(25-21)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKeyFAOPGAGGYFTMME-UHFFFAOYSA-N
XLogP5.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81095790
6-(2-adamantyl)-1,3,5-triazine-2,4-diamine
CID 115998290
2-(2-adamantyl)-5-iodo-1,3,4-thiadiazole
CID 81096255
2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 81095880
3-(2-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 59656198
5-(2-adamantyl)-4-iodo-1,2-oxazol-3-amine
CID 81096508
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
4-(2-adamantyl)-2H-triazole
CID 68810661
3-(2-adamantyl)-5-(bromomethyl)-4-tert-butyl-1,2,4-triazole
CID 115399440
3-(2-adamantyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 81100557
N,5-bis(2-adamantyl)-1,3,4-thiadiazol-2-amine
CID 16727852
ethane;2-methyladamantane
CID 90765849

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-adamantyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(2-adamantyl)-1,3,4-oxadiazole (CID 16727838) is 2,5-bis(2-adamantyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(2-adamantyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(2-adamantyl)-1,3,4-oxadiazole is C1C2CC3CC1CC(C2)C3c1nnc(C2C3CC4CC(C3)CC2C4)o1.
What is the InChIKey of 2,5-bis(2-adamantyl)-1,3,4-oxadiazole?
The InChIKey is FAOPGAGGYFTMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-24-22(25-21)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2.
What are the key properties of 2,5-bis(2-adamantyl)-1,3,4-oxadiazole?
2,5-bis(2-adamantyl)-1,3,4-oxadiazole has a molecular weight of 338.50 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-adamantyl)-1,3,4-oxadiazole is sourced from PubChem (CID 16727838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).