N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H13BrN2O2 — CID 51857396

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2Br)on1
InChIInChI=1S/C13H13BrN2O2/c1-8-7-12(18-16-8)13(17)15-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDFKGCWPEAYTEQG-SECBINFHSA-N
MW309.16 g/mol
LogP3.24
Rot. Bonds3

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 51857396) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID51857396
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2Br)on1
InChIInChI=1S/C13H13BrN2O2/c1-8-7-12(18-16-8)13(17)15-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDFKGCWPEAYTEQG-SECBINFHSA-N
XLogP3.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 81383381
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 51857396) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)on1.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DFKGCWPEAYTEQG-SECBINFHSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-7-12(18-16-8)13(17)15-9(2)10-5-3-4-6-11(10)14/h3-7,9H,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51857396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).