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

C11H10Cl2N2O2 — CID 52734301

IUPAC3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(COc2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-11-14-10(15-17-11)6-16-9-4-7(12)3-8(13)5-9/h3-5H,2,6H2,1H3
InChIKeyGZCSTRDPYUEWBL-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.52
Rot. Bonds4

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

3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 52734301) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID52734301
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(COc2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C11H10Cl2N2O2/c1-2-11-14-10(15-17-11)6-16-9-4-7(12)3-8(13)5-9/h3-5H,2,6H2,1H3
InChIKeyGZCSTRDPYUEWBL-UHFFFAOYSA-N
XLogP3.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenol
CID 61497436
(1S)-1-[5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933151
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2,6-dimethylbenzenesulfonamide
CID 82916625
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
5-ethyl-3-(quinolin-3-yloxymethyl)-1,2,4-oxadiazole
CID 102847040
5-chloro-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82921303
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 54959294
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063220

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole (CID 52734301) is 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(COc2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is GZCSTRDPYUEWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-2-11-14-10(15-17-11)6-16-9-4-7(12)3-8(13)5-9/h3-5H,2,6H2,1H3.
What are the key properties of 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole?
3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 273.12 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 52734301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).