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

C10H7ClF2N2O — CID 43658624

IUPAC5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCCl)n2)cc1F
InChIInChI=1S/C10H7ClF2N2O/c11-4-3-9-14-10(15-16-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2
InChIKeyWIYRTZHKDDYLTK-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.80
Rot. Bonds3

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

5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 43658624) has the molecular formula C10H7ClF2N2O and a molecular weight of 244.63 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
PubChem CID43658624
Molecular FormulaC10H7ClF2N2O
Molecular Weight244.63 g/mol
Exact Mass244.02
IUPAC Name5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCCl)n2)cc1F
InChIInChI=1S/C10H7ClF2N2O/c11-4-3-9-14-10(15-16-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2
InChIKeyWIYRTZHKDDYLTK-UHFFFAOYSA-N
XLogP2.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 63092416
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 43658638
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846767
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348620
4-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butyl]morpholine
CID 154631714
5-(azetidin-3-ylmethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 64610434
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524709
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072269
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 55202613
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157591

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole (CID 43658624) is 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(CCCl)n2)cc1F.
What is the InChIKey of 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is WIYRTZHKDDYLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O/c11-4-3-9-14-10(15-16-9)6-1-2-7(12)8(13)5-6/h1-2,5H,3-4H2.
What are the key properties of 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole?
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 244.63 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 43658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).