N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide

C12H11BrN2O2 — CID 114286938

IUPACN-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccno1
InChIInChI=1S/C12H11BrN2O2/c1-2-8-7-9(13)3-4-10(8)15-12(16)11-5-6-14-17-11/h3-7H,2H2,1H3,(H,15,16)
InChIKeyYUIPXTBJAXOQFI-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.25
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide

N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 114286938) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID114286938
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccno1
InChIInChI=1S/C12H11BrN2O2/c1-2-8-7-9(13)3-4-10(8)15-12(16)11-5-6-14-17-11/h3-7H,2H2,1H3,(H,15,16)
InChIKeyYUIPXTBJAXOQFI-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693633
N-(5-bromo-2-chlorophenyl)-1,2-oxazole-5-carboxamide
CID 55211541
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
4-amino-N-(4-bromo-2-ethylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81292624
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
2-[(4-bromo-2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697325
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide (CID 114286938) is N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide is CCc1cc(Br)ccc1NC(=O)c1ccno1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YUIPXTBJAXOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-8-7-9(13)3-4-10(8)15-12(16)11-5-6-14-17-11/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide?
N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 114286938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).