2-methyl-7H-[1,3]oxazolo[5,4-b]azepine

C8H8N2O — CID 143409831

IUPAC2-methyl-7H-[1,3]oxazolo[5,4-b]azepine
SMILESCc1nc2c(o1)=NC=CCC=2
InChIInChI=1S/C8H8N2O/c1-6-10-7-4-2-3-5-9-8(7)11-6/h3-5H,2H2,1H3
InChIKeyVJIIOSBWEUXIPN-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.30
Rot. Bonds

About 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine

2-methyl-7H-[1,3]oxazolo[5,4-b]azepine (PubChem CID 143409831) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine.

Molecular Properties

Compound Name2-methyl-7H-[1,3]oxazolo[5,4-b]azepine
PubChem CID143409831
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methyl-7H-[1,3]oxazolo[5,4-b]azepine
SMILESCc1nc2c(o1)=NC=CCC=2
InChIInChI=1S/C8H8N2O/c1-6-10-7-4-2-3-5-9-8(7)11-6/h3-5H,2H2,1H3
InChIKeyVJIIOSBWEUXIPN-UHFFFAOYSA-N
XLogP0.30
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine?
The IUPAC name of 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine (CID 143409831) is 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine.
What is the SMILES notation for 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine?
The canonical SMILES for 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine is Cc1nc2c(o1)=NC=CCC=2.
What is the InChIKey of 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine?
The InChIKey is VJIIOSBWEUXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6-10-7-4-2-3-5-9-8(7)11-6/h3-5H,2H2,1H3.
What are the key properties of 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine?
2-methyl-7H-[1,3]oxazolo[5,4-b]azepine has a molecular weight of 148.16 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7H-[1,3]oxazolo[5,4-b]azepine is sourced from PubChem (CID 143409831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).