8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine

C10H16N2O — CID 146338861

IUPAC8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1ncn2c1OCCC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)8-9-12(7-11-8)5-4-6-13-9/h7H,4-6H2,1-3H3
InChIKeyPPGNERDZJFZIEU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds

About 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine

8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine (PubChem CID 146338861) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
PubChem CID146338861
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1ncn2c1OCCC2
InChIInChI=1S/C10H16N2O/c1-10(2,3)8-9-12(7-11-8)5-4-6-13-9/h7H,4-6H2,1-3H3
InChIKeyPPGNERDZJFZIEU-UHFFFAOYSA-N
XLogP1.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The IUPAC name of 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine (CID 146338861) is 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine.
What is the SMILES notation for 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The canonical SMILES for 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine is CC(C)(C)c1ncn2c1OCCC2.
What is the InChIKey of 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The InChIKey is PPGNERDZJFZIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,3)8-9-12(7-11-8)5-4-6-13-9/h7H,4-6H2,1-3H3.
What are the key properties of 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine has a molecular weight of 180.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine is sourced from PubChem (CID 146338861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).