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

C12H14N2O3 — CID 110655535

IUPAC2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCOc1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C12H14N2O3/c1-3-15-10-4-6-11(7-5-10)16-8-12-14-13-9(2)17-12/h4-7H,3,8H2,1-2H3
InChIKeyZFOBGZZZCOIUBC-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.36
Rot. Bonds5

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

2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 110655535) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID110655535
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCCOc1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C12H14N2O3/c1-3-15-10-4-6-11(7-5-10)16-8-12-14-13-9(2)17-12/h4-7H,3,8H2,1-2H3
InChIKeyZFOBGZZZCOIUBC-UHFFFAOYSA-N
XLogP2.36
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60888596
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
(1S)-1-[2-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 107720562
2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79799511
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
1-[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-2-yl]ethanone
CID 71978689
2-(2-ethoxyethylsulfanyl)-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 60561546
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79800146
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60878650
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole (CID 110655535) is 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole is CCOc1ccc(OCc2nnc(C)o2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZFOBGZZZCOIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-15-10-4-6-11(7-5-10)16-8-12-14-13-9(2)17-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 234.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).