2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole

C11H12N2O2 — CID 118528215

IUPAC2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOC(C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O2/c1-8(14-2)10-12-13-11(15-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWMTCIWBZKBWYHI-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole

2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 118528215) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID118528215
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
SMILESCOC(C)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O2/c1-8(14-2)10-12-13-11(15-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyWMTCIWBZKBWYHI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)propane-1,2-diamine
CID 67031947
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7604513
2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 15090951
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole (CID 118528215) is 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole is COC(C)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WMTCIWBZKBWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14-2)10-12-13-11(15-10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole?
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 118528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).