8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

C12H18N2O3 — CID 90773347

IUPAC8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESCOCC(C)Oc1ccc2c(n1)OCCNC2
InChIInChI=1S/C12H18N2O3/c1-9(8-15-2)17-11-4-3-10-7-13-5-6-16-12(10)14-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyLLNBOCGXDCPXRE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds4

About 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (PubChem CID 90773347) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.

Molecular Properties

Compound Name8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
PubChem CID90773347
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
SMILESCOCC(C)Oc1ccc2c(n1)OCCNC2
InChIInChI=1S/C12H18N2O3/c1-9(8-15-2)17-11-4-3-10-7-13-5-6-16-12(10)14-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyLLNBOCGXDCPXRE-UHFFFAOYSA-N
XLogP0.98
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The IUPAC name of 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (CID 90773347) is 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine.
What is the SMILES notation for 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The canonical SMILES for 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is COCC(C)Oc1ccc2c(n1)OCCNC2.
What is the InChIKey of 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
The InChIKey is LLNBOCGXDCPXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(8-15-2)17-11-4-3-10-7-13-5-6-16-12(10)14-11/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine?
8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine has a molecular weight of 238.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methoxypropan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine is sourced from PubChem (CID 90773347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).