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

C15H19N3O3 — CID 115411911

IUPAC4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nc(C3(C)CCCCO3)no2)c1
InChIInChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-9-10(19-2)5-6-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyVECJRLGZCLYEIA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds3

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

4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 115411911) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID115411911
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(N)c(-c2nc(C3(C)CCCCO3)no2)c1
InChIInChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-9-10(19-2)5-6-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyVECJRLGZCLYEIA-UHFFFAOYSA-N
XLogP2.74
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
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 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 115411911) is 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is COc1ccc(N)c(-c2nc(C3(C)CCCCO3)no2)c1.
What is the InChIKey of 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is VECJRLGZCLYEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(7-3-4-8-20-15)14-17-13(21-18-14)11-9-10(19-2)5-6-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 289.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 115411911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).