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

C8H5ClN2O2 — CID 11116982

IUPAC5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyIBXCIADJXVFGAL-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.68
Rot. Bonds1

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

5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 11116982) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID11116982
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChIKeyIBXCIADJXVFGAL-UHFFFAOYSA-N
XLogP1.68
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3,4-oxadiazol-2-IN-5-one
CID 352208
5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-thiol
CID 736579
5-(2-Chlorophenyl)-1,3,4-oxadiazole-2-thiol
CID 774382
5-(3-Chlorophenyl)-1,3,4-oxadiazole-2-thiol
CID 2055733
5-(4-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
CID 2535079
5-(4-Methylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 12777256
5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one
CID 146425072
5-[3,4-Dichlorophenyl]-1,3,4-oxadiazol-2[3H]-one
CID 615475
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-Methylphenyl)-1,3,4-oxadiazol-2(3H)-one
CID 14173559
5-(2-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one
CID 24902248

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one (CID 11116982) is 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is IBXCIADJXVFGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12).
What are the key properties of 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one?
5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 196.59 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 11116982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).