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

C12H15ClN2O — CID 62796411

IUPAC3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C12H15ClN2O/c13-11-14-10(15-16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2
InChIKeyZDDVYPDGPNRPDT-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.19
Rot. Bonds1

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

3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole (PubChem CID 62796411) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
PubChem CID62796411
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
SMILESClc1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C12H15ClN2O/c13-11-14-10(15-16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2
InChIKeyZDDVYPDGPNRPDT-UHFFFAOYSA-N
XLogP3.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole?
The IUPAC name of 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole (CID 62796411) is 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole is Clc1nc(C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole?
The InChIKey is ZDDVYPDGPNRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-14-10(15-16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2.
What are the key properties of 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole?
3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole has a molecular weight of 238.72 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole is sourced from PubChem (CID 62796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).