N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

C9H11BrN2O3 — CID 115594509

IUPACN-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESC=C(Br)CNC(=O)COc1cc(C)on1
InChIInChI=1S/C9H11BrN2O3/c1-6(10)4-11-8(13)5-14-9-3-7(2)15-12-9/h3H,1,4-5H2,2H3,(H,11,13)
InChIKeyNZFJZNGZDONFJA-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.39
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (PubChem CID 115594509) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
PubChem CID115594509
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC NameN-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
SMILESC=C(Br)CNC(=O)COc1cc(C)on1
InChIInChI=1S/C9H11BrN2O3/c1-6(10)4-11-8(13)5-14-9-3-7(2)15-12-9/h3H,1,4-5H2,2H3,(H,11,13)
InChIKeyNZFJZNGZDONFJA-UHFFFAOYSA-N
XLogP1.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
CID 43359027
N-(4-hydroxycyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43392091
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114182062
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (CID 115594509) is N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is C=C(Br)CNC(=O)COc1cc(C)on1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
The InChIKey is NZFJZNGZDONFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-6(10)4-11-8(13)5-14-9-3-7(2)15-12-9/h3H,1,4-5H2,2H3,(H,11,13).
What are the key properties of N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide has a molecular weight of 275.10 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is sourced from PubChem (CID 115594509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).