2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole

C16H18N2O2 — CID 171974718

IUPAC2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(C3=CC4COCC(C3)N4C)cc2o1
InChIInChI=1S/C16H18N2O2/c1-10-17-15-4-3-11(7-16(15)20-10)12-5-13-8-19-9-14(6-12)18(13)2/h3-5,7,13-14H,6,8-9H2,1-2H3
InChIKeyOABLETMEXIKJTR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole

2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole (PubChem CID 171974718) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
PubChem CID171974718
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(C3=CC4COCC(C3)N4C)cc2o1
InChIInChI=1S/C16H18N2O2/c1-10-17-15-4-3-11(7-16(15)20-10)12-5-13-8-19-9-14(6-12)18(13)2/h3-5,7,13-14H,6,8-9H2,1-2H3
InChIKeyOABLETMEXIKJTR-UHFFFAOYSA-N
XLogP2.62
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole (CID 171974718) is 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole is Cc1nc2ccc(C3=CC4COCC(C3)N4C)cc2o1.
What is the InChIKey of 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole?
The InChIKey is OABLETMEXIKJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-17-15-4-3-11(7-16(15)20-10)12-5-13-8-19-9-14(6-12)18(13)2/h3-5,7,13-14H,6,8-9H2,1-2H3.
What are the key properties of 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole?
2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole has a molecular weight of 270.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole is sourced from PubChem (CID 171974718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).