tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate

C18H24BrN3O5 — CID 177331676

IUPACtert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESCc1coc(-n2cc(COC[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c2=O)n1
InChIInChI=1S/C18H24BrN3O5/c1-11(21-17(24)27-18(3,4)5)8-25-10-13-6-14(19)15(23)22(7-13)16-20-12(2)9-26-16/h6-7,9,11H,8,10H2,1-5H3,(H,21,24)/t11-/m1/s1
InChIKeyDWGURHYOXDMOEO-LLVKDONJSA-N
MW442.31 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate (PubChem CID 177331676) has the molecular formula C18H24BrN3O5 and a molecular weight of 442.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate
PubChem CID177331676
Molecular FormulaC18H24BrN3O5
Molecular Weight442.31 g/mol
Exact Mass441.09
IUPAC Nametert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate
SMILESCc1coc(-n2cc(COC[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c2=O)n1
InChIInChI=1S/C18H24BrN3O5/c1-11(21-17(24)27-18(3,4)5)8-25-10-13-6-14(19)15(23)22(7-13)16-20-12(2)9-26-16/h6-7,9,11H,8,10H2,1-5H3,(H,21,24)/t11-/m1/s1
InChIKeyDWGURHYOXDMOEO-LLVKDONJSA-N
XLogP3.33
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate (CID 177331676) is tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate is Cc1coc(-n2cc(COC[C@@H](C)NC(=O)OC(C)(C)C)cc(Br)c2=O)n1.
What is the InChIKey of tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate?
The InChIKey is DWGURHYOXDMOEO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H24BrN3O5/c1-11(21-17(24)27-18(3,4)5)8-25-10-13-6-14(19)15(23)22(7-13)16-20-12(2)9-26-16/h6-7,9,11H,8,10H2,1-5H3,(H,21,24)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate has a molecular weight of 442.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[5-bromo-1-(4-methyl-1,3-oxazol-2-yl)-6-oxo-3-pyridinyl]methoxy]propan-2-yl]carbamate is sourced from PubChem (CID 177331676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).