8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine

C18H23N3O2 — CID 141422077

IUPAC8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCC1CC(c3ccccc3)=NO1)C2
InChIInChI=1S/C18H23N3O2/c1-21-15-7-8-16(21)10-14(9-15)19-22-12-17-11-18(20-23-17)13-5-3-2-4-6-13/h2-6,15-17H,7-12H2,1H3
InChIKeyZKLXQRLWGVROAL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.81
Rot. Bonds4

About 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 141422077) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID141422077
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCC1CC(c3ccccc3)=NO1)C2
InChIInChI=1S/C18H23N3O2/c1-21-15-7-8-16(21)10-14(9-15)19-22-12-17-11-18(20-23-17)13-5-3-2-4-6-13/h2-6,15-17H,7-12H2,1H3
InChIKeyZKLXQRLWGVROAL-UHFFFAOYSA-N
XLogP2.81
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine (CID 141422077) is 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOCC1CC(c3ccccc3)=NO1)C2.
What is the InChIKey of 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is ZKLXQRLWGVROAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-15-7-8-16(21)10-14(9-15)19-22-12-17-11-18(20-23-17)13-5-3-2-4-6-13/h2-6,15-17H,7-12H2,1H3.
What are the key properties of 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 313.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 141422077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).