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

C13H11N3O2 — CID 104797778

IUPAC2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccoc1-c1noc(-c2ccccc2N)n1
InChIInChI=1S/C13H11N3O2/c1-8-6-7-17-11(8)12-15-13(18-16-12)9-4-2-3-5-10(9)14/h2-7H,14H2,1H3
InChIKeyXGKVJMHXLBFNPP-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.89
Rot. Bonds2

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

2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 104797778) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID104797778
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccoc1-c1noc(-c2ccccc2N)n1
InChIInChI=1S/C13H11N3O2/c1-8-6-7-17-11(8)12-15-13(18-16-12)9-4-2-3-5-10(9)14/h2-7H,14H2,1H3
InChIKeyXGKVJMHXLBFNPP-UHFFFAOYSA-N
XLogP2.89
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
2,4-dibromo-6-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798121
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114329249
4-methyl-5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 113454316
5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113454313
4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914623
5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914626
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62340328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 104797778) is 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccoc1-c1noc(-c2ccccc2N)n1.
What is the InChIKey of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is XGKVJMHXLBFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-6-7-17-11(8)12-15-13(18-16-12)9-4-2-3-5-10(9)14/h2-7H,14H2,1H3.
What are the key properties of 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline?
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 241.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 104797778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).