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

C11H18N2O4 — CID 68670260

IUPACtert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc(CO)co1
InChIInChI=1S/C11H18N2O4/c1-7(9-13-8(5-14)6-16-9)12-10(15)17-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15)
InChIKeyHHIXBKILHJXGMW-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.75
Rot. Bonds3

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

tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate (PubChem CID 68670260) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
PubChem CID68670260
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc(CO)co1
InChIInChI=1S/C11H18N2O4/c1-7(9-13-8(5-14)6-16-9)12-10(15)17-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15)
InChIKeyHHIXBKILHJXGMW-UHFFFAOYSA-N
XLogP1.75
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 102444482
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
CID 130748149
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
methyl 2-[(1S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 10686554
tert-butyl N-[1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
CID 4906017
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 90414461
tert-butyl N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]carbamate
CID 150711020
(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid
CID 11197217
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate (CID 68670260) is tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1nc(CO)co1.
What is the InChIKey of tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate?
The InChIKey is HHIXBKILHJXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(9-13-8(5-14)6-16-9)12-10(15)17-11(2,3)4/h6-7,14H,5H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate?
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate has a molecular weight of 242.27 g/mol, XLogP of 1.75, 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-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 68670260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).