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

C12H17BrN2O3 — CID 67813716

IUPACtert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate
SMILESCc1noc(N(C(=O)OC(C)(C)C)C2CC2)c1Br
InChIInChI=1S/C12H17BrN2O3/c1-7-9(13)10(18-14-7)15(8-5-6-8)11(16)17-12(2,3)4/h8H,5-6H2,1-4H3
InChIKeyMISDFEDHXJDBQS-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.65
Rot. Bonds2

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

tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate (PubChem CID 67813716) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate
PubChem CID67813716
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Nametert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate
SMILESCc1noc(N(C(=O)OC(C)(C)C)C2CC2)c1Br
InChIInChI=1S/C12H17BrN2O3/c1-7-9(13)10(18-14-7)15(8-5-6-8)11(16)17-12(2,3)4/h8H,5-6H2,1-4H3
InChIKeyMISDFEDHXJDBQS-UHFFFAOYSA-N
XLogP3.65
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3,4-dimethyl-1,2-oxazol-5-yl)-(oxan-4-yl)sulfamoyl]carbamate
CID 155225154
tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
CID 67382235
2-(5-bromofuran-2-yl)-2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 104653477
tert-butyl N-cyclopropyl-N-(2-ethynylphenyl)carbamate
CID 175318373
[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]-(6-bromoquinazolin-2-yl)carbamic acid
CID 137352479
tert-butyl N-cyclopropyl-N-(6-nitro-3-pyridinyl)carbamate
CID 66907125
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
CID 166985995
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
tert-butyl N-[(2-bromo-3-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 162786554

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate (CID 67813716) is tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate is Cc1noc(N(C(=O)OC(C)(C)C)C2CC2)c1Br.
What is the InChIKey of tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate?
The InChIKey is MISDFEDHXJDBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-7-9(13)10(18-14-7)15(8-5-6-8)11(16)17-12(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate?
tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate has a molecular weight of 317.18 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-cyclopropylcarbamate is sourced from PubChem (CID 67813716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).