5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole

C15H15NO — CID 144879686

IUPAC5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
SMILESCc1cc2nc(C(C)C)oc2c2ccccc12
InChIInChI=1S/C15H15NO/c1-9(2)15-16-13-8-10(3)11-6-4-5-7-12(11)14(13)17-15/h4-9H,1-3H3
InChIKeyUPWDHYOQCGFQPG-UHFFFAOYSA-N
MW225.29 g/mol
LogP4.41
Rot. Bonds1

About 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole

5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole (PubChem CID 144879686) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
PubChem CID144879686
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole
SMILESCc1cc2nc(C(C)C)oc2c2ccccc12
InChIInChI=1S/C15H15NO/c1-9(2)15-16-13-8-10(3)11-6-4-5-7-12(11)14(13)17-15/h4-9H,1-3H3
InChIKeyUPWDHYOQCGFQPG-UHFFFAOYSA-N
XLogP4.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole?
The IUPAC name of 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole (CID 144879686) is 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole is Cc1cc2nc(C(C)C)oc2c2ccccc12.
What is the InChIKey of 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole?
The InChIKey is UPWDHYOQCGFQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-9(2)15-16-13-8-10(3)11-6-4-5-7-12(11)14(13)17-15/h4-9H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole?
5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole has a molecular weight of 225.29 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 144879686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).