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

C11H18N2O4 — CID 121454125

IUPACtert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)c1ncco1
InChIInChI=1S/C11H18N2O4/c1-7(8(14)9-12-5-6-16-9)13-10(15)17-11(2,3)4/h5-8,14H,1-4H3,(H,13,15)
InChIKeyKXLOFRPPVHGJOR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.62
Rot. Bonds3

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

tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate (PubChem CID 121454125) has the molecular formula C11H18N2O4 and a molecular weight of 242.28 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
PubChem CID121454125
Molecular FormulaC11H18N2O4
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(O)c1ncco1
InChIInChI=1S/C11H18N2O4/c1-7(8(14)9-12-5-6-16-9)13-10(15)17-11(2,3)4/h5-8,14H,1-4H3,(H,13,15)
InChIKeyKXLOFRPPVHGJOR-UHFFFAOYSA-N
XLogP1.62
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.62
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)butan-2-yl]carbamate
CID 21025725
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
CID 101458585
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)-2-methylpropyl]carbamate
CID 24906039
tert-butyl (3R)-3-(1,3-oxazol-2-yl)hex-5-enoate
CID 141041340
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate (CID 121454125) is tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate is CC(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)propan-2-yl]carbamate?
The InChIKey is KXLOFRPPVHGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(8(14)9-12-5-6-16-9)13-10(15)17-11(2,3)4/h5-8,14H,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)propan-2-yl]carbamate has a molecular weight of 242.28 g/mol, XLogP of 1.62, 3 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)propan-2-yl]carbamate is sourced from PubChem (CID 121454125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).