3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium

C17H14NO2+ — CID 164756828

IUPAC3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
SMILESCc1ccccc1-c1oc2c3ccccc3oc2[n+]1C
InChIInChI=1S/C17H14NO2/c1-11-7-3-4-8-12(11)16-18(2)17-15(20-16)13-9-5-6-10-14(13)19-17/h3-10H,1-2H3/q+1
InChIKeyCJGREBCKXLTNLN-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.98
Rot. Bonds1

About 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium

3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium (PubChem CID 164756828) has the molecular formula C17H14NO2+ and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
PubChem CID164756828
Molecular FormulaC17H14NO2+
Molecular Weight264.30 g/mol
Exact Mass264.10
IUPAC Name3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
SMILESCc1ccccc1-c1oc2c3ccccc3oc2[n+]1C
InChIInChI=1S/C17H14NO2/c1-11-7-3-4-8-12(11)16-18(2)17-15(20-16)13-9-5-6-10-14(13)19-17/h3-10H,1-2H3/q+1
InChIKeyCJGREBCKXLTNLN-UHFFFAOYSA-N
XLogP3.98
TPSA30.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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[3,2-g][1,3]benzoxazol-3-ium
CID 169309271
2-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756783
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
CID 170244640
2-methyl-[1]benzofuro[2,3-d][1,3]oxazol-3-ium-3-amine
CID 170056225
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
2-(2-methylphenyl)chromen-4-one
CID 776385
1-methyl-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-b]pyrrol-1-ium
CID 164756849
6-methyl-5-(2-methylphenyl)-4,11-dioxa-6-azoniapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),5,8,12,14,16,18-nonaene-9-carbonitrile
CID 176767756
1,3-bis(2-methylphenyl)-2-benzofuran
CID 59096365
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
3-methyl-2-(2,9,9-trimethylfluoren-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-3-ium
CID 177124559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium?
The IUPAC name of 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium (CID 164756828) is 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium is Cc1ccccc1-c1oc2c3ccccc3oc2[n+]1C.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium?
The InChIKey is CJGREBCKXLTNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO2/c1-11-7-3-4-8-12(11)16-18(2)17-15(20-16)13-9-5-6-10-14(13)19-17/h3-10H,1-2H3/q+1.
What are the key properties of 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium?
3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium has a molecular weight of 264.30 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium is sourced from PubChem (CID 164756828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).