2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C11H11ClN2O2 — CID 43513285

IUPAC2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C11H11ClN2O2/c1-15-9-4-2-8(3-5-9)11-14-13-10(16-11)6-7-12/h2-5H,6-7H2,1H3
InChIKeyPTZULEATHHAZFK-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 43513285) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID43513285
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCCl)o2)cc1
InChIInChI=1S/C11H11ClN2O2/c1-15-9-4-2-8(3-5-9)11-14-13-10(16-11)6-7-12/h2-5H,6-7H2,1H3
InChIKeyPTZULEATHHAZFK-UHFFFAOYSA-N
XLogP2.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
5-(2-chloroethyl)-N-(4-methoxyphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957099
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 43513285) is 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CCCl)o2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is PTZULEATHHAZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-15-9-4-2-8(3-5-9)11-14-13-10(16-11)6-7-12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 238.67 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).