2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline

C11H12ClN3O2 — CID 79614235

IUPAC2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(C)c1noc(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3
InChIKeyBBCCLMPUGPPLGN-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline

2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 79614235) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID79614235
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOC(C)c1noc(-c2ccc(Cl)c(N)c2)n1
InChIInChI=1S/C11H12ClN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3
InChIKeyBBCCLMPUGPPLGN-UHFFFAOYSA-N
XLogP2.68
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 79614235) is 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is COC(C)c1noc(-c2ccc(Cl)c(N)c2)n1.
What is the InChIKey of 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is BBCCLMPUGPPLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(16-2)10-14-11(17-15-10)7-3-4-8(12)9(13)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 253.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 79614235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).