N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C9H13BrN2O2 — CID 114307930

IUPACN-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)(C)CBr
InChIInChI=1S/C9H13BrN2O2/c1-6-7(4-11-14-6)8(13)12-9(2,3)5-10/h4H,5H2,1-3H3,(H,12,13)
InChIKeyOEVFTMWDWSFIOZ-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.89
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 114307930) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID114307930
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)(C)CBr
InChIInChI=1S/C9H13BrN2O2/c1-6-7(4-11-14-6)8(13)12-9(2,3)5-10/h4H,5H2,1-3H3,(H,12,13)
InChIKeyOEVFTMWDWSFIOZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 114307930) is N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OEVFTMWDWSFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-6-7(4-11-14-6)8(13)12-9(2,3)5-10/h4H,5H2,1-3H3,(H,12,13).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 261.12 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114307930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).