2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole

C15H11NO2 — CID 20610489

IUPAC2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESCc1ccc2oc3cc4nc(C)oc4cc3c2c1
InChIInChI=1S/C15H11NO2/c1-8-3-4-13-10(5-8)11-6-15-12(7-14(11)18-13)16-9(2)17-15/h3-7H,1-2H3
InChIKeyLAMVLAVQGDANDY-UHFFFAOYSA-N
MW237.26 g/mol
LogP4.34
Rot. Bonds

About 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole

2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 20610489) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID20610489
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESCc1ccc2oc3cc4nc(C)oc4cc3c2c1
InChIInChI=1S/C15H11NO2/c1-8-3-4-13-10(5-8)11-6-15-12(7-14(11)18-13)16-9(2)17-15/h3-7H,1-2H3
InChIKeyLAMVLAVQGDANDY-UHFFFAOYSA-N
XLogP4.34
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610547
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2,5-dimethyl-1,3-benzoxazole;1,2,5-trimethylbenzimidazole
CID 91410269
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
CID 12886751
7-bromo-2-methyldibenzofuran
CID 142427198
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
actinium;8-methyldibenzofuran-2-ol
CID 18739071
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 20610489) is 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole is Cc1ccc2oc3cc4nc(C)oc4cc3c2c1.
What is the InChIKey of 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is LAMVLAVQGDANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-8-3-4-13-10(5-8)11-6-15-12(7-14(11)18-13)16-9(2)17-15/h3-7H,1-2H3.
What are the key properties of 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 237.26 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 20610489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).