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

C12H14N2O2 — CID 60718341

IUPAC5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1ccccc1OCc1nc(C)no1
InChIInChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-11(10)15-8-12-13-9(2)14-16-12/h4-7H,3,8H2,1-2H3
InChIKeyOXHLRKLTNKOZDV-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.52
Rot. Bonds4

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

5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 60718341) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID60718341
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1ccccc1OCc1nc(C)no1
InChIInChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-11(10)15-8-12-13-9(2)14-16-12/h4-7H,3,8H2,1-2H3
InChIKeyOXHLRKLTNKOZDV-UHFFFAOYSA-N
XLogP2.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 54930891
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821
5-[(2-ethylphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960641
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765671
2-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 60905114
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole (CID 60718341) is 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole is CCc1ccccc1OCc1nc(C)no1.
What is the InChIKey of 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is OXHLRKLTNKOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-10-6-4-5-7-11(10)15-8-12-13-9(2)14-16-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 60718341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).