2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide

C12H21BrN2O2 — CID 143651754

IUPAC2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide
SMILESCC(C)(C)Br.CC(C)(C)c1cc(NC=O)no1
InChIInChI=1S/C8H12N2O2.C4H9Br/c1-8(2,3)6-4-7(9-5-11)10-12-6;1-4(2,3)5/h4-5H,1-3H3,(H,9,10,11);1-3H3
InChIKeyGHMCWOKWVZTRCC-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide

2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide (PubChem CID 143651754) has the molecular formula C12H21BrN2O2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide.

Molecular Properties

Compound Name2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide
PubChem CID143651754
Molecular FormulaC12H21BrN2O2
Molecular Weight305.22 g/mol
Exact Mass304.08
IUPAC Name2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide
SMILESCC(C)(C)Br.CC(C)(C)c1cc(NC=O)no1
InChIInChI=1S/C8H12N2O2.C4H9Br/c1-8(2,3)6-4-7(9-5-11)10-12-6;1-4(2,3)5/h4-5H,1-3H3,(H,9,10,11);1-3H3
InChIKeyGHMCWOKWVZTRCC-UHFFFAOYSA-N
XLogP3.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
sodium N-(5-tert-butyl-1,2-oxazol-3-yl)sulfamate
CID 174221570
3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
CID 58990227
CID 58990227
5-tert-butyl-N-(1H-pyrrol-3-ylmethyl)-1,2-oxazol-3-amine
CID 115925058
3-(5-tert-butyl-1,2-oxazol-3-yl)propanal
CID 126844126
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylthiourea
CID 19687473
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
5-tert-butyl-3-chloro-1,2-oxazole
CID 84650983
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
The IUPAC name of 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide (CID 143651754) is 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide.
What is the SMILES notation for 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
The canonical SMILES for 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide is CC(C)(C)Br.CC(C)(C)c1cc(NC=O)no1.
What is the InChIKey of 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
The InChIKey is GHMCWOKWVZTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C4H9Br/c1-8(2,3)6-4-7(9-5-11)10-12-6;1-4(2,3)5/h4-5H,1-3H3,(H,9,10,11);1-3H3.
What are the key properties of 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide?
2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide has a molecular weight of 305.22 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methylpropane;N-(5-tert-butyl-1,2-oxazol-3-yl)formamide is sourced from PubChem (CID 143651754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).