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

C11H13N3O2 — CID 61035881

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
SMILESCCc1nnc(COc2cccc(N)c2)o1
InChIInChI=1S/C11H13N3O2/c1-2-10-13-14-11(16-10)7-15-9-5-3-4-8(12)6-9/h3-6H,2,7,12H2,1H3
InChIKeyHETZMKOBSWJNFU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.79
Rot. Bonds4

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

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline (PubChem CID 61035881) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
PubChem CID61035881
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline
SMILESCCc1nnc(COc2cccc(N)c2)o1
InChIInChI=1S/C11H13N3O2/c1-2-10-13-14-11(16-10)7-15-9-5-3-4-8(12)6-9/h3-6H,2,7,12H2,1H3
InChIKeyHETZMKOBSWJNFU-UHFFFAOYSA-N
XLogP1.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.79
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 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline (CID 61035881) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline is CCc1nnc(COc2cccc(N)c2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
The InChIKey is HETZMKOBSWJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-10-13-14-11(16-10)7-15-9-5-3-4-8(12)6-9/h3-6H,2,7,12H2,1H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline has a molecular weight of 219.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]aniline is sourced from PubChem (CID 61035881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).