2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole

C9H14N2O — CID 53017482

IUPAC2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCCC2)o1
InChIInChI=1S/C9H14N2O/c1-7-10-11-9(12-7)6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKeyBOVCMEFQLWDXQW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.11
Rot. Bonds2

About 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole

2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 53017482) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID53017482
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CC2CCCC2)o1
InChIInChI=1S/C9H14N2O/c1-7-10-11-9(12-7)6-8-4-2-3-5-8/h8H,2-6H2,1H3
InChIKeyBOVCMEFQLWDXQW-UHFFFAOYSA-N
XLogP2.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole (CID 53017482) is 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(CC2CCCC2)o1.
What is the InChIKey of 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is BOVCMEFQLWDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-10-11-9(12-7)6-8-4-2-3-5-8/h8H,2-6H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole?
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 166.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53017482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).