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

C11H12N2O2 — CID 2981681

IUPAC2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnco2)cc1C
InChIInChI=1S/C11H12N2O2/c1-8-3-4-10(5-9(8)2)14-6-11-13-12-7-15-11/h3-5,7H,6H2,1-2H3
InChIKeyKIDQVMMZFIAODS-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.27
Rot. Bonds3

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

2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 2981681) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID2981681
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(OCc2nnco2)cc1C
InChIInChI=1S/C11H12N2O2/c1-8-3-4-10(5-9(8)2)14-6-11-13-12-7-15-11/h3-5,7H,6H2,1-2H3
InChIKeyKIDQVMMZFIAODS-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-chloroethyl)-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 82045111
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-[(3,4-dimethylphenoxy)methyl]-3,1-benzoxazin-4-one
CID 3485998
2-[(4-chlorophenyl)methylsulfanyl]-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 92644685
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
5-[(3,4-dimethylphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 807858
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-[(3,4-dimethylphenoxy)methyl]pyrimidine-5-carbaldehyde
CID 99976309
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole (CID 2981681) is 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole is Cc1ccc(OCc2nnco2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is KIDQVMMZFIAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-4-10(5-9(8)2)14-6-11-13-12-7-15-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole?
2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2981681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).