2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole

C20H24N2O — CID 45106139

IUPAC2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C20H24N2O/c1-13-4-2-3-5-17(13)19-22-21-18(23-19)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3
InChIKeyITPUYHDCLZRGER-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.80
Rot. Bonds3

About 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole

2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 45106139) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID45106139
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C20H24N2O/c1-13-4-2-3-5-17(13)19-22-21-18(23-19)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3
InChIKeyITPUYHDCLZRGER-UHFFFAOYSA-N
XLogP4.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 45106139) is 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(CC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is ITPUYHDCLZRGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-4-2-3-5-17(13)19-22-21-18(23-19)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3.
What are the key properties of 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 308.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 45106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).