5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one

C8H4Cl2N2O2 — CID 615475

IUPAC5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C8H4Cl2N2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyUOMZJZLXDZFENX-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.34
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one

5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 615475) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID615475
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C8H4Cl2N2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
InChIKeyUOMZJZLXDZFENX-UHFFFAOYSA-N
XLogP2.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol
CID 736579
1,3,4-Oxadiazol-2(3H)-one, 5-(4-chlorophenyl)-
CID 11116982
5-(3-Chlorophenyl)-1,3,4-oxadiazole-2-thiol
CID 2055733
5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one
CID 146425072
5-(2-Chlorophenyl)-1,3,4-oxadiazol-2(3H)-one
CID 352211
5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 13110056
5-(3-Chloro-5-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ol
CID 146425096
5-(4-Chloro-2-methyl-phenyl)-1,3,4-oxadiazol-2-ol
CID 108017451
5-(2,3-Dichlorophenyl)-1,3,4-oxadiazol-2-ol
CID 64193038
5-(4-chlorophenyl)-3-methyl-1,3,4-oxadiazol-2(3H)-one
CID 13571188
5-(4-chloro-2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 64192479
5-(4-chloro-3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 107994511

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one (CID 615475) is 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is UOMZJZLXDZFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13).
What are the key properties of 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 231.04 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 615475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).