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

C12H11BrN2O2 — CID 66334349

IUPACN-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-6-15-17-11(8)12(16)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyTZQPPDZCWWRGPL-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66334349) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66334349
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C12H11BrN2O2/c1-8-6-15-17-11(8)12(16)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyTZQPPDZCWWRGPL-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334378
4-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110851934
N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 66335090
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 66334630
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 66334349) is N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is TZQPPDZCWWRGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-15-17-11(8)12(16)14-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66334349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).