tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C16H28N2O5 — CID 100980621

IUPACtert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC1=CCON(C)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-15(2,3)23-14(19)18-11(10-21-16(18,4)5)13-12(20-7)8-9-22-17(13)6/h8,11,13H,9-10H2,1-7H3/t11-,13-/m0/s1
InChIKeyUZRODLJAOYBYKI-AAEUAGOBSA-N
MW328.41 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 100980621) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID100980621
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nametert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC1=CCON(C)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O5/c1-15(2,3)23-14(19)18-11(10-21-16(18,4)5)13-12(20-7)8-9-22-17(13)6/h8,11,13H,9-10H2,1-7H3/t11-,13-/m0/s1
InChIKeyUZRODLJAOYBYKI-AAEUAGOBSA-N
XLogP2.13
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91203347
tert-butyl (4R)-4-[(3R)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980617
tert-butyl (4S)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980618
tert-butyl (4S)-4-[(3R)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100980622

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 100980621) is tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC1=CCON(C)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UZRODLJAOYBYKI-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-15(2,3)23-14(19)18-11(10-21-16(18,4)5)13-12(20-7)8-9-22-17(13)6/h8,11,13H,9-10H2,1-7H3/t11-,13-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(3S)-4-methoxy-2-methyl-3,6-dihydrooxazin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 100980621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).