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

C12H14N2O2 — CID 64765480

IUPAC3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCCc1cccc(OCc2nonc2C)c1
InChIInChI=1S/C12H14N2O2/c1-3-10-5-4-6-11(7-10)15-8-12-9(2)13-16-14-12/h4-7H,3,8H2,1-2H3
InChIKeyXJXICEJIHCLUOT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.52
Rot. Bonds4

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

3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 64765480) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID64765480
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCCc1cccc(OCc2nonc2C)c1
InChIInChI=1S/C12H14N2O2/c1-3-10-5-4-6-11(7-10)15-8-12-9(2)13-16-14-12/h4-7H,3,8H2,1-2H3
InChIKeyXJXICEJIHCLUOT-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

3-methyl-4-[(3-methylphenoxy)methyl]-1,2,5-oxadiazole
CID 64764360
3-[(2-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765671
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole (CID 64765480) is 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is CCc1cccc(OCc2nonc2C)c1.
What is the InChIKey of 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is XJXICEJIHCLUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-10-5-4-6-11(7-10)15-8-12-9(2)13-16-14-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole?
3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-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 3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 64765480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).