4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

C10H6ClN5O2 — CID 23931680

IUPAC4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClN5O2/c11-6-3-1-5(2-4-6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15)
InChIKeyNJONUZUSXKDHGI-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.02
Rot. Bonds2

About 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 23931680) has the molecular formula C10H6ClN5O2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID23931680
Molecular FormulaC10H6ClN5O2
Molecular Weight263.64 g/mol
Exact Mass263.02
IUPAC Name4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H6ClN5O2/c11-6-3-1-5(2-4-6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15)
InChIKeyNJONUZUSXKDHGI-UHFFFAOYSA-N
XLogP2.02
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 686448
N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
CID 3609905
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
3,6-dichloro-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050440
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 43665687
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 99963115
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808218
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 106950682
5-(4-chlorophenyl)-3-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-1,2,4-oxadiazole
CID 2726956

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 23931680) is 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NJONUZUSXKDHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2/c11-6-3-1-5(2-4-6)10-13-9(16-17-10)7-8(12)15-18-14-7/h1-4H,(H2,12,15).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 263.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 23931680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).