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

C12H20N2O4 — CID 21025725

IUPACtert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
SMILESCCC(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)
InChIKeyJPRSJUAQZUXVIE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.01
Rot. Bonds4

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

tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate (PubChem CID 21025725) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
PubChem CID21025725
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
SMILESCCC(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)
InChIKeyJPRSJUAQZUXVIE-UHFFFAOYSA-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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Related Compounds

tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
CID 121454125
tert-butyl N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]carbamate
CID 69427301
tert-butyl N-[(1S,2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxybutan-2-yl]carbamate
CID 129383705
tert-butyl N-[(2S)-1-hydroxy-1-[5-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazol-2-yl]butan-2-yl]carbamate
CID 68823743
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
tert-butyl N-[(1S,2S)-1-[5-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53467270
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
CID 143041323
tert-butyl (3R)-3-(1,3-oxazol-2-yl)hex-5-enoate
CID 141041340
tert-butyl N-[1-hydroxy-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 23586840
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
CID 155173285

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate (CID 21025725) is tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(O)c1ncco1.
What is the InChIKey of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
The InChIKey is JPRSJUAQZUXVIE-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate?
tert-butyl N-[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-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 21025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).