2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole

C8H3Cl3N2O — CID 114771035

IUPAC2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C8H3Cl3N2O/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H
InChIKeyFRRRMVQOWYQVMC-UHFFFAOYSA-N
MW249.48 g/mol
LogP3.70
Rot. Bonds1

About 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole

2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 114771035) has the molecular formula C8H3Cl3N2O and a molecular weight of 249.48 g/mol. Its IUPAC name is 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID114771035
Molecular FormulaC8H3Cl3N2O
Molecular Weight249.48 g/mol
Exact Mass247.93
IUPAC Name2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C8H3Cl3N2O/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H
InChIKeyFRRRMVQOWYQVMC-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859434
5-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 60911296
N-[[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137776
(E)-3-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252626
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 83884740
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
4,5-dichloro-3-(2,3-dichlorophenyl)-1,2-oxazole
CID 131867762
4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole (CID 114771035) is 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole is Clc1nnc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is FRRRMVQOWYQVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3N2O/c9-5-3-1-2-4(6(5)10)7-12-13-8(11)14-7/h1-3H.
What are the key properties of 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 249.48 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).