2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine

C8H13N3O — CID 122697218

IUPAC2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine
SMILESCC(C)c1nc2c([nH]1)NCCO2
InChIInChI=1S/C8H13N3O/c1-5(2)6-10-7-8(11-6)12-4-3-9-7/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyBXGGQEWHORYUKZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.34
Rot. Bonds1

About 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine

2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine (PubChem CID 122697218) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine.

Molecular Properties

Compound Name2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine
PubChem CID122697218
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine
SMILESCC(C)c1nc2c([nH]1)NCCO2
InChIInChI=1S/C8H13N3O/c1-5(2)6-10-7-8(11-6)12-4-3-9-7/h5,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyBXGGQEWHORYUKZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine?
The IUPAC name of 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine (CID 122697218) is 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine.
What is the SMILES notation for 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine?
The canonical SMILES for 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine is CC(C)c1nc2c([nH]1)NCCO2.
What is the InChIKey of 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine?
The InChIKey is BXGGQEWHORYUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)6-10-7-8(11-6)12-4-3-9-7/h5,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine?
2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine has a molecular weight of 167.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,5,6,7-tetrahydroimidazo[4,5-b][1,4]oxazine is sourced from PubChem (CID 122697218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).