tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate

C12H19N3O3 — CID 84707922

IUPACtert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1noc2c1CNCC2
InChIInChI=1S/C12H19N3O3/c1-12(2,3)17-11(16)14-7-9-8-6-13-5-4-10(8)18-15-9/h13H,4-7H2,1-3H3,(H,14,16)
InChIKeyBBOJBRZMMZCXMH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate

tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate (PubChem CID 84707922) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
PubChem CID84707922
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1noc2c1CNCC2
InChIInChI=1S/C12H19N3O3/c1-12(2,3)17-11(16)14-7-9-8-6-13-5-4-10(8)18-15-9/h13H,4-7H2,1-3H3,(H,14,16)
InChIKeyBBOJBRZMMZCXMH-UHFFFAOYSA-N
XLogP1.35
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
tert-butyl N-[[4-(1,2,3,4-tetrahydroisoquinolin-8-yl)phenyl]methyl]carbamate
CID 82583246
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
CID 9079211
tert-butyl N-[[4-(7-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]carbamate
CID 82583252
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2H-triazole-4-carboxylate
CID 103121222
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl N-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)methyl]carbamate
CID 83669608
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate (CID 84707922) is tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1noc2c1CNCC2.
What is the InChIKey of tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate?
The InChIKey is BBOJBRZMMZCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)17-11(16)14-7-9-8-6-13-5-4-10(8)18-15-9/h13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate?
tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 84707922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).