2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

C16H13ClN2O2 — CID 110656035

IUPAC2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(OCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13ClN2O2/c17-13-7-4-8-14(11-13)20-10-9-15-18-19-16(21-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyIYBPICZWGZECAW-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.01
Rot. Bonds5

About 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110656035) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110656035
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(OCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C16H13ClN2O2/c17-13-7-4-8-14(11-13)20-10-9-15-18-19-16(21-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyIYBPICZWGZECAW-UHFFFAOYSA-N
XLogP4.01
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656038
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-(2-chloroethyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole
CID 39347320
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
2,5-dichloro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 110653804
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110656035) is 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is Clc1cccc(OCCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IYBPICZWGZECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-7-4-8-14(11-13)20-10-9-15-18-19-16(21-15)12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 300.75 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110656035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).