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

C13H15N3O2 — CID 65422733

IUPAC2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCC1CC1c1noc(COc2ccccc2N)n1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(8)13-15-12(18-16-13)7-17-11-5-3-2-4-10(11)14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyNUOZLBXPBBJZCG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.35
Rot. Bonds4

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

2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (PubChem CID 65422733) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
PubChem CID65422733
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
SMILESCC1CC1c1noc(COc2ccccc2N)n1
InChIInChI=1S/C13H15N3O2/c1-8-6-9(8)13-15-12(18-16-13)7-17-11-5-3-2-4-10(11)14/h2-5,8-9H,6-7,14H2,1H3
InChIKeyNUOZLBXPBBJZCG-UHFFFAOYSA-N
XLogP2.35
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.35
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-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The IUPAC name of 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline (CID 65422733) is 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline.
What is the SMILES notation for 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The canonical SMILES for 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is CC1CC1c1noc(COc2ccccc2N)n1.
What is the InChIKey of 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
The InChIKey is NUOZLBXPBBJZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-9(8)13-15-12(18-16-13)7-17-11-5-3-2-4-10(11)14/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline?
2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline has a molecular weight of 245.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline is sourced from PubChem (CID 65422733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).