tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate

C12H19N3O4 — CID 70913907

IUPACtert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)10-13-7-18-15-10/h7-9H,4-6H2,1-3H3,(H,14,16)/t8-,9+/m1/s1
InChIKeyUSILJOMJNGMMFJ-BDAKNGLRSA-N
MW269.30 g/mol
LogP1.81
Rot. Bonds2

About tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate (PubChem CID 70913907) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate
PubChem CID70913907
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2ncon2)OC1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)10-13-7-18-15-10/h7-9H,4-6H2,1-3H3,(H,14,16)/t8-,9+/m1/s1
InChIKeyUSILJOMJNGMMFJ-BDAKNGLRSA-N
XLogP1.81
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate (CID 70913907) is tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2ncon2)OC1.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate?
The InChIKey is USILJOMJNGMMFJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)19-11(16)14-8-4-5-9(17-6-8)10-13-7-18-15-10/h7-9H,4-6H2,1-3H3,(H,14,16)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-(1,2,4-oxadiazol-3-yl)oxan-3-yl]carbamate is sourced from PubChem (CID 70913907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).