2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole

C14H10N2O2 — CID 118531010

IUPAC2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
SMILESCc1nc2ccc3c(ccc4nc(C)oc43)c2o1
InChIInChI=1S/C14H10N2O2/c1-7-15-11-5-3-10-9(13(11)17-7)4-6-12-14(10)18-8(2)16-12/h3-6H,1-2H3
InChIKeyOETSUTJVBUVPAF-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.74
Rot. Bonds

About 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole

2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole (PubChem CID 118531010) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole.

Molecular Properties

Compound Name2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
PubChem CID118531010
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
SMILESCc1nc2ccc3c(ccc4nc(C)oc43)c2o1
InChIInChI=1S/C14H10N2O2/c1-7-15-11-5-3-10-9(13(11)17-7)4-6-12-14(10)18-8(2)16-12/h3-6H,1-2H3
InChIKeyOETSUTJVBUVPAF-UHFFFAOYSA-N
XLogP3.74
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The IUPAC name of 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole (CID 118531010) is 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole.
What is the SMILES notation for 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The canonical SMILES for 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole is Cc1nc2ccc3c(ccc4nc(C)oc43)c2o1.
What is the InChIKey of 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The InChIKey is OETSUTJVBUVPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-7-15-11-5-3-10-9(13(11)17-7)4-6-12-14(10)18-8(2)16-12/h3-6H,1-2H3.
What are the key properties of 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole has a molecular weight of 238.25 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole is sourced from PubChem (CID 118531010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).