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

C10H6ClN5O3 — CID 58558267

IUPAC3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one
SMILESNc1nonc1-c1noc(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14)
InChIKeyZEZGNCJYTCFHBE-UHFFFAOYSA-N
MW279.64 g/mol
LogP1.11
Rot. Bonds2

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

3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one (PubChem CID 58558267) has the molecular formula C10H6ClN5O3 and a molecular weight of 279.64 g/mol. Its IUPAC name is 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one
PubChem CID58558267
Molecular FormulaC10H6ClN5O3
Molecular Weight279.64 g/mol
Exact Mass279.02
IUPAC Name3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one
SMILESNc1nonc1-c1noc(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C10H6ClN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14)
InChIKeyZEZGNCJYTCFHBE-UHFFFAOYSA-N
XLogP1.11
TPSA112.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 44597276
4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carbothioamide
CID 44597277
3-[4-(3-Aminopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 58941755
3-[4-(2-Azidoethyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 58941796
3-[4-(azidomethyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 58941816
3-[4-(3-Azidopropyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 58941832
3-[4-(Aminomethyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 58941843
3-[4-(2-Aminoethyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 58941858
3-[4-(4-Aminobutyl)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 59148357
4-(3-Chloro-4-fluorophenyl)-3-[4-(2-oxopropyl)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 59148425
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 59148431
4-(3-Chloro-4-fluorophenyl)-5-oxo-3-[4-[3-(sulfamoylamino)propyl]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazole
CID 59148433

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one (CID 58558267) is 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one is Nc1nonc1-c1noc(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is ZEZGNCJYTCFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O3/c11-5-2-1-3-6(4-5)16-9(15-18-10(16)17)7-8(12)14-19-13-7/h1-4H,(H2,12,14).
What are the key properties of 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one?
3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 279.64 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 58558267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).