tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole

C32H52BrN5O7 — CID 161018775

IUPACtert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole
SMILESCCCc1cc(CC)on1.CCc1cc(CN(C)C(=O)OC(C)(C)C)no1.CCc1onc(CN(C)C(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2O3.C12H20N2O3.C8H13NO/c1-6-9-10(13)8(14-18-9)7-15(5)11(16)17-12(2,3)4;1-6-10-7-9(13-17-10)8-14(5)11(15)16-12(2,3)4;1-3-5-7-6-8(4-2)10-9-7/h6-7H2,1-5H3;7H,6,8H2,1-5H3;6H,3-5H2,1-2H3
InChIKeyTYBSUJBGGYOPKS-UHFFFAOYSA-N
MW698.70 g/mol
LogP8.16
Rot. Bonds9

About tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole

tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole (PubChem CID 161018775) has the molecular formula C32H52BrN5O7 and a molecular weight of 698.70 g/mol. Its IUPAC name is tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole.

Molecular Properties

Compound Nametert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole
PubChem CID161018775
Molecular FormulaC32H52BrN5O7
Molecular Weight698.70 g/mol
Exact Mass697.31
IUPAC Nametert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole
SMILESCCCc1cc(CC)on1.CCc1cc(CN(C)C(=O)OC(C)(C)C)no1.CCc1onc(CN(C)C(=O)OC(C)(C)C)c1Br
InChIInChI=1S/C12H19BrN2O3.C12H20N2O3.C8H13NO/c1-6-9-10(13)8(14-18-9)7-15(5)11(16)17-12(2,3)4;1-6-10-7-9(13-17-10)8-14(5)11(15)16-12(2,3)4;1-3-5-7-6-8(4-2)10-9-7/h6-7H2,1-5H3;7H,6,8H2,1-5H3;6H,3-5H2,1-2H3
InChIKeyTYBSUJBGGYOPKS-UHFFFAOYSA-N
XLogP8.16
TPSA137.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.70
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
CID 164902574
tert-butyl 3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]propanoate
CID 121340361
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
2-bromo-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 59404716
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
CID 162438051
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22265925

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole?
The IUPAC name of tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole (CID 161018775) is tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole.
What is the SMILES notation for tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole?
The canonical SMILES for tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole is CCCc1cc(CC)on1.CCc1cc(CN(C)C(=O)OC(C)(C)C)no1.CCc1onc(CN(C)C(=O)OC(C)(C)C)c1Br.
What is the InChIKey of tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole?
The InChIKey is TYBSUJBGGYOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3.C12H20N2O3.C8H13NO/c1-6-9-10(13)8(14-18-9)7-15(5)11(16)17-12(2,3)4;1-6-10-7-9(13-17-10)8-14(5)11(15)16-12(2,3)4;1-3-5-7-6-8(4-2)10-9-7/h6-7H2,1-5H3;7H,6,8H2,1-5H3;6H,3-5H2,1-2H3.
What are the key properties of tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole?
tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole has a molecular weight of 698.70 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-bromo-5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[(5-ethyl-1,2-oxazol-3-yl)methyl]-N-methylcarbamate;5-ethyl-3-propyl-1,2-oxazole is sourced from PubChem (CID 161018775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).