tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate

C20H28N2O5 — CID 147846858

IUPACtert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2=COCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C20H28N2O5/c1-19(2,3)26-17(23)11-15-8-7-14(12-21-15)16-13-25-10-9-22(16)18(24)27-20(4,5)6/h7-8,12-13H,9-11H2,1-6H3
InChIKeyHUBGXTYPUMNNEZ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate

tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate (PubChem CID 147846858) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate
PubChem CID147846858
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)Cc1ccc(C2=COCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C20H28N2O5/c1-19(2,3)26-17(23)11-15-8-7-14(12-21-15)16-13-25-10-9-22(16)18(24)27-20(4,5)6/h7-8,12-13H,9-11H2,1-6H3
InChIKeyHUBGXTYPUMNNEZ-UHFFFAOYSA-N
XLogP3.53
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate?
The IUPAC name of tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate (CID 147846858) is tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate is CC(C)(C)OC(=O)Cc1ccc(C2=COCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate?
The InChIKey is HUBGXTYPUMNNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-19(2,3)26-17(23)11-15-8-7-14(12-21-15)16-13-25-10-9-22(16)18(24)27-20(4,5)6/h7-8,12-13H,9-11H2,1-6H3.
What are the key properties of tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate?
tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-pyridinyl]-2,3-dihydro-1,4-oxazine-4-carboxylate is sourced from PubChem (CID 147846858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).