3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

C10H10N2O2 — CID 12762725

IUPAC3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2ncon2)cc1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-2-8(3-5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3
InChIKeyFKBPUIWHSLRLAB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.67
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole

3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 12762725) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID12762725
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2ncon2)cc1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-2-8(3-5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3
InChIKeyFKBPUIWHSLRLAB-UHFFFAOYSA-N
XLogP1.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 12762725) is 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2ncon2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is FKBPUIWHSLRLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-9-4-2-8(3-5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole?
3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 190.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 12762725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).