8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

C14H22N2O2 — CID 64864017

IUPAC8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1cc(CNC2C3CCCOC3C2(C)C)no1
InChIInChI=1S/C14H22N2O2/c1-9-7-10(16-18-9)8-15-12-11-5-4-6-17-13(11)14(12,2)3/h7,11-13,15H,4-6,8H2,1-3H3
InChIKeyOVSMLHXLSBIZHN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds3

About 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64864017) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64864017
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1cc(CNC2C3CCCOC3C2(C)C)no1
InChIInChI=1S/C14H22N2O2/c1-9-7-10(16-18-9)8-15-12-11-5-4-6-17-13(11)14(12,2)3/h7,11-13,15H,4-6,8H2,1-3H3
InChIKeyOVSMLHXLSBIZHN-UHFFFAOYSA-N
XLogP2.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine 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 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 64864017) is 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is Cc1cc(CNC2C3CCCOC3C2(C)C)no1.
What is the InChIKey of 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is OVSMLHXLSBIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-10(16-18-9)8-15-12-11-5-4-6-17-13(11)14(12,2)3/h7,11-13,15H,4-6,8H2,1-3H3.
What are the key properties of 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 250.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64864017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).