2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine

C10H9N2O2+ — CID 170056225

IUPAC2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine
SMILESCc1oc2c3ccccc3oc2[n+]1N
InChIInChI=1S/C10H9N2O2/c1-6-12(11)10-9(13-6)7-4-2-3-5-8(7)14-10/h2-5H,11H2,1H3/q+1
InChIKeyHZQWYQKEWFJLOI-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.49
Rot. Bonds

About 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine

2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine (PubChem CID 170056225) has the molecular formula C10H9N2O2+ and a molecular weight of 189.19 g/mol. Its IUPAC name is 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine.

Molecular Properties

Compound Name2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine
PubChem CID170056225
Molecular FormulaC10H9N2O2+
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine
SMILESCc1oc2c3ccccc3oc2[n+]1N
InChIInChI=1S/C10H9N2O2/c1-6-12(11)10-9(13-6)7-4-2-3-5-8(7)14-10/h2-5H,11H2,1H3/q+1
InChIKeyHZQWYQKEWFJLOI-UHFFFAOYSA-N
XLogP1.49
TPSA56.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756828
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756783
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
2-methyl-[1,3]oxazolo[4,5-b]pyridin-3-ium-3-amine
CID 146844121
3-methyl-1-benzofuran-2-carbothioamide
CID 83591316
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
2-methyl-[1]benzofuro[3,2-d]pyrimidin-3-ium-4-amine chloride
CID 135958604
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine?
The IUPAC name of 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine (CID 170056225) is 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine.
What is the SMILES notation for 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine?
The canonical SMILES for 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine is Cc1oc2c3ccccc3oc2[n+]1N.
What is the InChIKey of 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine?
The InChIKey is HZQWYQKEWFJLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O2/c1-6-12(11)10-9(13-6)7-4-2-3-5-8(7)14-10/h2-5H,11H2,1H3/q+1.
What are the key properties of 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine?
2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine has a molecular weight of 189.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine is sourced from PubChem (CID 170056225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).