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

C10H10N2O2 — CID 90907925

IUPAC3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2ncon2)c1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-2-3-8(5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3
InChIKeyJPDIMJHHGWFRBA-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.67
Rot. Bonds3

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

3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 90907925) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID90907925
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1cccc(Cc2ncon2)c1
InChIInChI=1S/C10H10N2O2/c1-13-9-4-2-3-8(5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3
InChIKeyJPDIMJHHGWFRBA-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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Related Compounds

5-[(3-Methoxyphenyl)methoxy]-3-propan-2-yl-1,2,4-oxadiazole
CID 53603288
3-(4-Methoxybenzyl)-1,2,4-oxadiazole
CID 12762725
3-(4-Methoxyphenyl)-1,2,4-oxadiazole
CID 15369611
3-(2-Methoxyphenyl)-1,2,4-oxadiazole
CID 21710595
3-(3,4-Dimethoxybenzyl)-5-propyl-1,2,4-oxadiazole
CID 874870
(E)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxy-1-(1,2,4-oxadiazol-3-yl)methanimine
CID 15346096
3-(2-(Trifluoromethoxy)phenyl)-1,2,4-oxadiazole
CID 54772363
3-(4-(Trifluoromethoxy)phenyl)-1,2,4-oxadiazole
CID 54772381
3-(4-(Difluoromethoxy)phenyl)-1,2,4-oxadiazole
CID 54772385
3-[[3-(Trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
CID 69065232
5-[4-[2-(3-Methoxyphenyl)ethyl]piperazin-1-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 118384977
5-Cyclopropyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazole
CID 123309182

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 90907925) is 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole is COc1cccc(Cc2ncon2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is JPDIMJHHGWFRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-9-4-2-3-8(5-9)6-10-11-7-14-12-10/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole?
3-[(3-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-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 90907925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).