tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate

C11H20N2O3 — CID 174909045

IUPACtert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCC1COC(CCNC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H20N2O3/c1-8-7-15-9(13-8)5-6-12-10(14)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyRPLUHIOQVGTFAF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 174909045) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID174909045
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCC1COC(CCNC(=O)OC(C)(C)C)=N1
InChIInChI=1S/C11H20N2O3/c1-8-7-15-9(13-8)5-6-12-10(14)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyRPLUHIOQVGTFAF-UHFFFAOYSA-N
XLogP1.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 96537570
tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
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tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-(trimethylsilylmethyl)carbamate
CID 45092007
(4S)-4-methyl-2-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole
CID 59919107
tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
CID 142473011
tert-butyl N-[2-[(3R)-3-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-7-yl]ethyl]carbamate
CID 131977989
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate (CID 174909045) is tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate is CC1COC(CCNC(=O)OC(C)(C)C)=N1.
What is the InChIKey of tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is RPLUHIOQVGTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-7-15-9(13-8)5-6-12-10(14)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 174909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).