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

C11H17BrN2O3 — CID 164902574

IUPACtert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
SMILESCc1nc(CN(C)C(=O)OC(C)(C)C)c(Br)o1
InChIInChI=1S/C11H17BrN2O3/c1-7-13-8(9(12)16-7)6-14(5)10(15)17-11(2,3)4/h6H2,1-5H3
InChIKeyPTNQXKIXSJVZRJ-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.11
Rot. Bonds2

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

tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate (PubChem CID 164902574) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
PubChem CID164902574
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Nametert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate
SMILESCc1nc(CN(C)C(=O)OC(C)(C)C)c(Br)o1
InChIInChI=1S/C11H17BrN2O3/c1-7-13-8(9(12)16-7)6-14(5)10(15)17-11(2,3)4/h6H2,1-5H3
InChIKeyPTNQXKIXSJVZRJ-UHFFFAOYSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)-methylamino]propyl]-N-methylcarbamate
CID 126818833
tert-butyl N-[(4-bromo-2-pyridinyl)methyl]-N-methylcarbamate
CID 133062977
tert-butyl 4-bromo-2-cyclopropyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139574399
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049
tert-butyl N-[(6-chloro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133058135
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-[[2-(3-bromo-2,4-difluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]-N-methylcarbamate
CID 164903049
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate (CID 164902574) is tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate is Cc1nc(CN(C)C(=O)OC(C)(C)C)c(Br)o1.
What is the InChIKey of tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate?
The InChIKey is PTNQXKIXSJVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-7-13-8(9(12)16-7)6-14(5)10(15)17-11(2,3)4/h6H2,1-5H3.
What are the key properties of tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate has a molecular weight of 305.17 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-bromo-2-methyl-1,3-oxazol-4-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 164902574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).