tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate

C12H16N4O3 — CID 23551937

IUPACtert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2c(N)noc2n1
InChIInChI=1S/C12H16N4O3/c1-12(2,3)18-11(17)14-6-7-4-5-8-9(13)16-19-10(8)15-7/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyXJVLEMIACGISBD-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.83
Rot. Bonds2

About tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate

tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate (PubChem CID 23551937) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
PubChem CID23551937
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Nametert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2c(N)noc2n1
InChIInChI=1S/C12H16N4O3/c1-12(2,3)18-11(17)14-6-7-4-5-8-9(13)16-19-10(8)15-7/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyXJVLEMIACGISBD-UHFFFAOYSA-N
XLogP1.83
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
hydroxymethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-methylsulfanylpyridine-2-carboxylate
CID 144797989
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate (CID 23551937) is tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc2c(N)noc2n1.
What is the InChIKey of tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate?
The InChIKey is XJVLEMIACGISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,3)18-11(17)14-6-7-4-5-8-9(13)16-19-10(8)15-7/h4-5H,6H2,1-3H3,(H2,13,16)(H,14,17).
What are the key properties of tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate?
tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate has a molecular weight of 264.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate is sourced from PubChem (CID 23551937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).