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

C11H18N2O3 — CID 103947091

IUPACtert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H18N2O3/c1-7-6-12-9(15-7)8(2)13-10(14)16-11(3,4)5/h6,8H,1-5H3,(H,13,14)
InChIKeyQRFLCMDLKSTSOW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.57
Rot. Bonds2

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

tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 103947091) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID103947091
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCc1cnc(C(C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H18N2O3/c1-7-6-12-9(15-7)8(2)13-10(14)16-11(3,4)5/h6,8H,1-5H3,(H,13,14)
InChIKeyQRFLCMDLKSTSOW-UHFFFAOYSA-N
XLogP2.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
3-amino-3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 106388299
3-chloro-2,2-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388098
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
4-(2-aminoethyl)-5,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexanamide
CID 106388297
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106388829
N-tert-butyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]propanamide
CID 104579635
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate (CID 103947091) is tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is Cc1cnc(C(C)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is QRFLCMDLKSTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-6-12-9(15-7)8(2)13-10(14)16-11(3,4)5/h6,8H,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 103947091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).