2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide

C12H16Br2N2O2 — CID 4319127

IUPAC2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C)CC2(Br)Br)no1
InChIInChI=1S/C12H16Br2N2O2/c1-10(2,3)7-5-8(16-18-7)15-9(17)11(4)6-12(11,13)14/h5H,6H2,1-4H3,(H,15,16,17)
InChIKeyHRYSYTYWGWSWAU-UHFFFAOYSA-N
MW380.08 g/mol
LogP3.81
Rot. Bonds2

About 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide

2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 4319127) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID4319127
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC Name2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C)CC2(Br)Br)no1
InChIInChI=1S/C12H16Br2N2O2/c1-10(2,3)7-5-8(16-18-7)15-9(17)11(4)6-12(11,13)14/h5H,6H2,1-4H3,(H,15,16,17)
InChIKeyHRYSYTYWGWSWAU-UHFFFAOYSA-N
XLogP3.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 41648
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CID 28065541
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CID 4548614
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CID 156446
CID 156446
CID 186687
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CID 6453261
CID 6453261
CID 757130
CID 757130
CID 162644931
CID 162644931
CID 162645786
CID 162645786
CID 91622203
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CID 19841679
CID 19841679

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide (CID 4319127) is 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide is CC(C)(C)c1cc(NC(=O)C2(C)CC2(Br)Br)no1.
What is the InChIKey of 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is HRYSYTYWGWSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-10(2,3)7-5-8(16-18-7)15-9(17)11(4)6-12(11,13)14/h5H,6H2,1-4H3,(H,15,16,17).
What are the key properties of 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide?
2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 380.08 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 4319127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).