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

C12H20N2O — CID 58477007

IUPAC3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCC(C)(C)C2(C)C)n1
InChIInChI=1S/C12H20N2O/c1-8-13-10(15-14-8)9-6-7-11(2,3)12(9,4)5/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyHIXAOEIZCBBJFY-SECBINFHSA-N
MW208.30 g/mol
LogP3.31
Rot. Bonds1

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

3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole (PubChem CID 58477007) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole
PubChem CID58477007
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCC(C)(C)C2(C)C)n1
InChIInChI=1S/C12H20N2O/c1-8-13-10(15-14-8)9-6-7-11(2,3)12(9,4)5/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyHIXAOEIZCBBJFY-SECBINFHSA-N
XLogP3.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.31
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)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole (CID 58477007) is 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole is Cc1noc([C@H]2CCC(C)(C)C2(C)C)n1.
What is the InChIKey of 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole?
The InChIKey is HIXAOEIZCBBJFY-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-13-10(15-14-8)9-6-7-11(2,3)12(9,4)5/h9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of 3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole has a molecular weight of 208.30 g/mol, XLogP of 3.31, 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)-2,2,3,3-tetramethylcyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 58477007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).