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

C11H12N2O2 — CID 12762723

IUPAC3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(C)n2)cc1
InChIInChI=1S/C11H12N2O2/c1-8-12-11(13-15-8)7-9-3-5-10(14-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDZONHSNJSRTHMB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 12762723) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID12762723
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(C)n2)cc1
InChIInChI=1S/C11H12N2O2/c1-8-12-11(13-15-8)7-9-3-5-10(14-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyDZONHSNJSRTHMB-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

3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
CID 163469065
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 61375320
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15001242
2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109190
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63345344
2-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 55152146
N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 61374743

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole (CID 12762723) is 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole is COc1ccc(Cc2noc(C)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is DZONHSNJSRTHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-12-11(13-15-8)7-9-3-5-10(14-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(4-methoxyphenyl)methyl]-5-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 3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 12762723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).