tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate

C13H20N2O4 — CID 140896687

IUPACtert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(16)15-9-4-5-10(17-7-9)11-6-14-8-18-11/h6,8-10H,4-5,7H2,1-3H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyPJBJCFGYKWQNSK-ZJUUUORDSA-N
MW268.31 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate (PubChem CID 140896687) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate
PubChem CID140896687
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(16)15-9-4-5-10(17-7-9)11-6-14-8-18-11/h6,8-10H,4-5,7H2,1-3H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyPJBJCFGYKWQNSK-ZJUUUORDSA-N
XLogP2.42
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate (CID 140896687) is tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnco2)OC1.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate?
The InChIKey is PJBJCFGYKWQNSK-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)19-12(16)15-9-4-5-10(17-7-9)11-6-14-8-18-11/h6,8-10H,4-5,7H2,1-3H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate has a molecular weight of 268.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate is sourced from PubChem (CID 140896687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).