7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine

C11H18N2O2 — CID 166713067

IUPAC7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
SMILESCOC1CCOc2c(C(C)C)cnn2C1
InChIInChI=1S/C11H18N2O2/c1-8(2)10-6-12-13-7-9(14-3)4-5-15-11(10)13/h6,8-9H,4-5,7H2,1-3H3
InChIKeySUZPMJVCLBPRRZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.80
Rot. Bonds2

About 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine

7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine (PubChem CID 166713067) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine.

Molecular Properties

Compound Name7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
PubChem CID166713067
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
SMILESCOC1CCOc2c(C(C)C)cnn2C1
InChIInChI=1S/C11H18N2O2/c1-8(2)10-6-12-13-7-9(14-3)4-5-15-11(10)13/h6,8-9H,4-5,7H2,1-3H3
InChIKeySUZPMJVCLBPRRZ-UHFFFAOYSA-N
XLogP1.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The IUPAC name of 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine (CID 166713067) is 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine.
What is the SMILES notation for 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The canonical SMILES for 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine is COC1CCOc2c(C(C)C)cnn2C1.
What is the InChIKey of 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The InChIKey is SUZPMJVCLBPRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)10-6-12-13-7-9(14-3)4-5-15-11(10)13/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine has a molecular weight of 210.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine is sourced from PubChem (CID 166713067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).