2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate

C15H20N2O5 — CID 69279278

IUPAC2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate
SMILESCC(=O)OCc1cc2c(cn1)OCCN2C(=O)OCC(C)C
InChIInChI=1S/C15H20N2O5/c1-10(2)8-22-15(19)17-4-5-20-14-7-16-12(6-13(14)17)9-21-11(3)18/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDUKHORQVVOBDNQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.14
Rot. Bonds4

About 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate

2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate (PubChem CID 69279278) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate
PubChem CID69279278
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate
SMILESCC(=O)OCc1cc2c(cn1)OCCN2C(=O)OCC(C)C
InChIInChI=1S/C15H20N2O5/c1-10(2)8-22-15(19)17-4-5-20-14-7-16-12(6-13(14)17)9-21-11(3)18/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDUKHORQVVOBDNQ-UHFFFAOYSA-N
XLogP2.14
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)methyl acetate
CID 22047300
tert-butyl 7-amino-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxylate
CID 171618611
2-methylpropyl 6-(4-carbonochloridoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)benzimidazole-1-carboxylate
CID 86672043
benzyl 6-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 86287947
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10679323
tert-butyl 7-(benzhydrylideneamino)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate
CID 59261166
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
CID 66630587
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 177172610
1-[6-(2-aminopropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340696
benzyl 7-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 133060509

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate (CID 69279278) is 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate is CC(=O)OCc1cc2c(cn1)OCCN2C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate?
The InChIKey is DUKHORQVVOBDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)8-22-15(19)17-4-5-20-14-7-16-12(6-13(14)17)9-21-11(3)18/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate?
2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 7-(acetyloxymethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 69279278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).