3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole

C11H18N2O — CID 123188792

IUPAC3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CC[C@@H](C)C2(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7-5-6-9(11(7,3)4)10-12-8(2)13-14-10/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyZRINOCYGTKFSDQ-VXNVDRBHSA-N
MW194.28 g/mol
LogP2.92
Rot. Bonds1

About 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole

3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole (PubChem CID 123188792) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole
PubChem CID123188792
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CC[C@@H](C)C2(C)C)n1
InChIInChI=1S/C11H18N2O/c1-7-5-6-9(11(7,3)4)10-12-8(2)13-14-10/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyZRINOCYGTKFSDQ-VXNVDRBHSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole (CID 123188792) is 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole is Cc1noc([C@H]2CC[C@@H](C)C2(C)C)n1.
What is the InChIKey of 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole?
The InChIKey is ZRINOCYGTKFSDQ-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-6-9(11(7,3)4)10-12-8(2)13-14-10/h7,9H,5-6H2,1-4H3/t7-,9-/m1/s1.
What are the key properties of 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole has a molecular weight of 194.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S,3R)-2,2,3-trimethylcyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 123188792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).