3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline

C11H13N3O — CID 43617312

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline
SMILESCCc1nnc(-c2cccc(N)c2C)o1
InChIInChI=1S/C11H13N3O/c1-3-10-13-14-11(15-10)8-5-4-6-9(12)7(8)2/h4-6H,3,12H2,1-2H3
InChIKeyXYUHFUJFVVIPHY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds2

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline (PubChem CID 43617312) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline
PubChem CID43617312
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline
SMILESCCc1nnc(-c2cccc(N)c2C)o1
InChIInChI=1S/C11H13N3O/c1-3-10-13-14-11(15-10)8-5-4-6-9(12)7(8)2/h4-6H,3,12H2,1-2H3
InChIKeyXYUHFUJFVVIPHY-UHFFFAOYSA-N
XLogP2.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline (CID 43617312) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline is CCc1nnc(-c2cccc(N)c2C)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline?
The InChIKey is XYUHFUJFVVIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-10-13-14-11(15-10)8-5-4-6-9(12)7(8)2/h4-6H,3,12H2,1-2H3.
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline has a molecular weight of 203.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylaniline is sourced from PubChem (CID 43617312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).