2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide

C12H9BrF2N2O2 — CID 178143844

IUPAC2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide
SMILESO=C(Cc1cc(F)c(Br)cc1F)NCc1ncco1
InChIInChI=1S/C12H9BrF2N2O2/c13-8-5-9(14)7(3-10(8)15)4-11(18)17-6-12-16-1-2-19-12/h1-3,5H,4,6H2,(H,17,18)
InChIKeyGZMMSDQAWGLXSN-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide

2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide (PubChem CID 178143844) has the molecular formula C12H9BrF2N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide
PubChem CID178143844
Molecular FormulaC12H9BrF2N2O2
Molecular Weight331.12 g/mol
Exact Mass329.98
IUPAC Name2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide
SMILESO=C(Cc1cc(F)c(Br)cc1F)NCc1ncco1
InChIInChI=1S/C12H9BrF2N2O2/c13-8-5-9(14)7(3-10(8)15)4-11(18)17-6-12-16-1-2-19-12/h1-3,5H,4,6H2,(H,17,18)
InChIKeyGZMMSDQAWGLXSN-UHFFFAOYSA-N
XLogP2.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
2-[[5-[(5-bromo-2,4-difluorophenyl)methylamino]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 175412042
N-(4-bromo-2,5-difluorophenyl)-2-(2,4-difluorophenyl)acetamide
CID 103842501
lithium 2-(1,3-oxazol-2-yl)acetate
CID 146049724
1-[3,5-difluoro-4-[[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(1,3-oxazol-2-ylmethyl)urea
CID 137362570
2-bromo-3-(4-bromo-2,5-difluorophenyl)propanamide
CID 107608482
3-amino-N-[2-(4-bromo-2,5-difluorophenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 130302975
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
2-bromo-1-(4-bromo-2,5-difluorophenyl)-4-methylpentan-3-one
CID 107616973
3-(6-bromo-3-pyridinyl)-N-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 163213317
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540
N-(4-bromo-2-pyridinyl)-2-(2,5-difluorophenyl)acetamide
CID 115274263

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide (CID 178143844) is 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide is O=C(Cc1cc(F)c(Br)cc1F)NCc1ncco1.
What is the InChIKey of 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide?
The InChIKey is GZMMSDQAWGLXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2/c13-8-5-9(14)7(3-10(8)15)4-11(18)17-6-12-16-1-2-19-12/h1-3,5H,4,6H2,(H,17,18).
What are the key properties of 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide?
2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide has a molecular weight of 331.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-difluorophenyl)-N-(1,3-oxazol-2-ylmethyl)acetamide is sourced from PubChem (CID 178143844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).