tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate

C12H20N2O4 — CID 58619523

IUPACtert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncco1
InChIInChI=1S/C12H20N2O4/c1-5-8(9(15)10-13-6-7-17-10)14-11(16)18-12(2,3)4/h6-9,15H,5H2,1-4H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyJPRSJUAQZUXVIE-IENPIDJESA-N
MW256.30 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate (PubChem CID 58619523) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
PubChem CID58619523
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncco1
InChIInChI=1S/C12H20N2O4/c1-5-8(9(15)10-13-6-7-17-10)14-11(16)18-12(2,3)4/h6-9,15H,5H2,1-4H3,(H,14,16)/t8-,9?/m0/s1
InChIKeyJPRSJUAQZUXVIE-IENPIDJESA-N
XLogP2.01
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate (CID 58619523) is tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate is CC[C@H](NC(=O)OC(C)(C)C)C(O)c1ncco1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The InChIKey is JPRSJUAQZUXVIE-IENPIDJESA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-8(9(15)10-13-6-7-17-10)14-11(16)18-12(2,3)4/h6-9,15H,5H2,1-4H3,(H,14,16)/t8-,9?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate has a molecular weight of 256.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 58619523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).