8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

C19H23N3O2 — CID 66993155

IUPAC8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESC[C@@H](Oc1cnc2c(n1)OCCN(Cc1ccccc1)C2)C1CC1
InChIInChI=1S/C19H23N3O2/c1-14(16-7-8-16)24-18-11-20-17-13-22(9-10-23-19(17)21-18)12-15-5-3-2-4-6-15/h2-6,11,14,16H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyBEYYOZVLJFFGOP-CQSZACIVSA-N
MW325.41 g/mol
LogP3.05
Rot. Bonds5

About 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine

8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (PubChem CID 66993155) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
PubChem CID66993155
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine
SMILESC[C@@H](Oc1cnc2c(n1)OCCN(Cc1ccccc1)C2)C1CC1
InChIInChI=1S/C19H23N3O2/c1-14(16-7-8-16)24-18-11-20-17-13-22(9-10-23-19(17)21-18)12-15-5-3-2-4-6-15/h2-6,11,14,16H,7-10,12-13H2,1H3/t14-/m1/s1
InChIKeyBEYYOZVLJFFGOP-CQSZACIVSA-N
XLogP3.05
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The IUPAC name of 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine (CID 66993155) is 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine.
What is the SMILES notation for 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The canonical SMILES for 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is C[C@@H](Oc1cnc2c(n1)OCCN(Cc1ccccc1)C2)C1CC1.
What is the InChIKey of 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
The InChIKey is BEYYOZVLJFFGOP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(16-7-8-16)24-18-11-20-17-13-22(9-10-23-19(17)21-18)12-15-5-3-2-4-6-15/h2-6,11,14,16H,7-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine?
8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine has a molecular weight of 325.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[(1R)-1-cyclopropylethoxy]-7,9-dihydro-6H-pyrazino[2,3-f][1,4]oxazepine is sourced from PubChem (CID 66993155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).