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

C12H14ClN3O3 — CID 61412241

IUPAC2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOCCc1noc(-c2cc(Cl)c(N)cc2OC)n1
InChIInChI=1S/C12H14ClN3O3/c1-17-4-3-11-15-12(19-16-11)7-5-8(13)9(14)6-10(7)18-2/h5-6H,3-4,14H2,1-2H3
InChIKeyWXCBVQVTGPSICO-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.17
Rot. Bonds5

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

2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 61412241) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID61412241
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOCCc1noc(-c2cc(Cl)c(N)cc2OC)n1
InChIInChI=1S/C12H14ClN3O3/c1-17-4-3-11-15-12(19-16-11)7-5-8(13)9(14)6-10(7)18-2/h5-6H,3-4,14H2,1-2H3
InChIKeyWXCBVQVTGPSICO-UHFFFAOYSA-N
XLogP2.17
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 61412241) is 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is COCCc1noc(-c2cc(Cl)c(N)cc2OC)n1.
What is the InChIKey of 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is WXCBVQVTGPSICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-17-4-3-11-15-12(19-16-11)7-5-8(13)9(14)6-10(7)18-2/h5-6H,3-4,14H2,1-2H3.
What are the key properties of 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline?
2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 283.72 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 61412241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).