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

C10H10ClN3O2 — CID 83824728

IUPAC5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
SMILESNCCc1nn(-c2ccccc2Cl)c(=O)o1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-2-4-8(7)14-10(15)16-9(13-14)5-6-12/h1-4H,5-6,12H2
InChIKeyHCGMHQFLEDOUEY-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.98
Rot. Bonds3

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

5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 83824728) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID83824728
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
SMILESNCCc1nn(-c2ccccc2Cl)c(=O)o1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-2-4-8(7)14-10(15)16-9(13-14)5-6-12/h1-4H,5-6,12H2
InChIKeyHCGMHQFLEDOUEY-UHFFFAOYSA-N
XLogP0.98
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-3-(2-methylphenyl)-1,3,4-oxadiazol-2-one
CID 83822064
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
CID 83868863
5-(2-chloro-4,6-difluorophenyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
CID 23042031
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
2-[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667867
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
2-(2-chlorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 19371922

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one (CID 83824728) is 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one is NCCc1nn(-c2ccccc2Cl)c(=O)o1.
What is the InChIKey of 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is HCGMHQFLEDOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-3-1-2-4-8(7)14-10(15)16-9(13-14)5-6-12/h1-4H,5-6,12H2.
What are the key properties of 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one?
5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 239.66 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 83824728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).