5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole

C9H14N2O2 — CID 130695371

IUPAC5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(CC2CCOCC2)no1
InChIInChI=1S/C9H14N2O2/c1-7-10-9(11-13-7)6-8-2-4-12-5-3-8/h8H,2-6H2,1H3
InChIKeyPHZCINBATAUCFW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.35
Rot. Bonds2

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

5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 130695371) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID130695371
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1nc(CC2CCOCC2)no1
InChIInChI=1S/C9H14N2O2/c1-7-10-9(11-13-7)6-8-2-4-12-5-3-8/h8H,2-6H2,1H3
InChIKeyPHZCINBATAUCFW-UHFFFAOYSA-N
XLogP1.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole (CID 130695371) is 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole is Cc1nc(CC2CCOCC2)no1.
What is the InChIKey of 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PHZCINBATAUCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-10-9(11-13-7)6-8-2-4-12-5-3-8/h8H,2-6H2,1H3.
What are the key properties of 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole?
5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 182.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130695371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).