2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C9H10Br2N2O2 — CID 4548614

IUPAC2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC2(Br)Br)no1
InChIInChI=1S/C9H10Br2N2O2/c1-5-3-6(13-15-5)12-7(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyRNIFFCXLLSWVCY-UHFFFAOYSA-N
MW338.00 g/mol
LogP2.82
Rot. Bonds2

About 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 4548614) has the molecular formula C9H10Br2N2O2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID4548614
Molecular FormulaC9H10Br2N2O2
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC Name2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC2(Br)Br)no1
InChIInChI=1S/C9H10Br2N2O2/c1-5-3-6(13-15-5)12-7(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyRNIFFCXLLSWVCY-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 52.82
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

N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 39869323
N-(5-methylisoxazol-3-yl)acetamide
CID 538625
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 1526572
2,2-dibromo-N-(5-tert-butyl-3-isoxazolyl)-1-methylcyclopropanecarboxamide
CID 4319127
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 787339
N-(5-Methyl-3-isoxazolyl)propanamide
CID 3613419
[(tert-butyl)amino]-N-(5-methylisoxazol-3-yl)carboxamide
CID 727868
3,3,3-trifluoro-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide
CID 537080
N-[2,2,2-Trifluoro-1-(5-methyl-3-isoxazolylamino)-1-(trifluoromethyl)ethyl]isovaleramide
CID 545543
3,3,3-trifluoro-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)propanamide
CID 1920714
N-(5-methyl-1,2-oxazol-3-yl)-2,2-bis(trifluoromethyl)butanamide
CID 3352198
5-Methylisoxazol-3-amine acetate
CID 3539793

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 4548614) is 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(C)CC2(Br)Br)no1.
What is the InChIKey of 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is RNIFFCXLLSWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O2/c1-5-3-6(13-15-5)12-7(14)8(2)4-9(8,10)11/h3H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 338.00 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4548614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).