methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate

C15H19N3O3 — CID 166654882

IUPACmethyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1C1=NC=CCC1)CCCOCC2
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-14(11-5-2-3-7-16-11)18-8-4-9-21-10-6-12(18)17-13/h3,7H,2,4-6,8-10H2,1H3
InChIKeyNPYKZFDUKYUNQE-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.73
Rot. Bonds2

About methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate

methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate (PubChem CID 166654882) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate
PubChem CID166654882
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1C1=NC=CCC1)CCCOCC2
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-14(11-5-2-3-7-16-11)18-8-4-9-21-10-6-12(18)17-13/h3,7H,2,4-6,8-10H2,1H3
InChIKeyNPYKZFDUKYUNQE-UHFFFAOYSA-N
XLogP1.73
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate?
The IUPAC name of methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate (CID 166654882) is methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate.
What is the SMILES notation for methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate?
The canonical SMILES for methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate is COC(=O)c1nc2n(c1C1=NC=CCC1)CCCOCC2.
What is the InChIKey of methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate?
The InChIKey is NPYKZFDUKYUNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-15(19)13-14(11-5-2-3-7-16-11)18-8-4-9-21-10-6-12(18)17-13/h3,7H,2,4-6,8-10H2,1H3.
What are the key properties of methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate?
methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dihydropyridin-2-yl)-6,7,9,10-tetrahydro-5H-imidazo[2,1-d][1,5]oxazocine-2-carboxylate is sourced from PubChem (CID 166654882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).