N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C12H11BrN2O2 — CID 114309588

IUPACN-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccccc1CBr
InChIInChI=1S/C12H11BrN2O2/c1-8-10(7-14-17-8)12(16)15-11-5-3-2-4-9(11)6-13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyNXCJJWFJZYTOBY-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.13
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 114309588) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID114309588
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccccc1CBr
InChIInChI=1S/C12H11BrN2O2/c1-8-10(7-14-17-8)12(16)15-11-5-3-2-4-9(11)6-13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyNXCJJWFJZYTOBY-UHFFFAOYSA-N
XLogP3.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.13
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-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114309775
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
N-[2-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
5-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 12020031

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 114309588) is N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccccc1CBr.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NXCJJWFJZYTOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-10(7-14-17-8)12(16)15-11-5-3-2-4-9(11)6-13/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 114309588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).