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

C11H12N2O2 — CID 54077737

IUPAC5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1nc(C)no1
InChIInChI=1S/C11H12N2O2/c1-8-12-11(15-13-8)7-9-5-3-4-6-10(9)14-2/h3-6H,7H2,1-2H3
InChIKeyMKXFUJAQYGLLOE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

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

5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 54077737) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID54077737
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccccc1Cc1nc(C)no1
InChIInChI=1S/C11H12N2O2/c1-8-12-11(15-13-8)7-9-5-3-4-6-10(9)14-2/h3-6H,7H2,1-2H3
InChIKeyMKXFUJAQYGLLOE-UHFFFAOYSA-N
XLogP1.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562184
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103095530
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634478
(2S)-2-amino-1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585921
1-(2-methoxy-5-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903130
1-(2-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 103901588
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole (CID 54077737) is 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole is COc1ccccc1Cc1nc(C)no1.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is MKXFUJAQYGLLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-12-11(15-13-8)7-9-5-3-4-6-10(9)14-2/h3-6H,7H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 54077737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).