N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

C12H12BrN3O2 — CID 81177334

IUPACN-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1ccon1)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O2/c13-10-3-1-2-4-11(10)15-12(17)8-14-7-9-5-6-18-16-9/h1-6,14H,7-8H2,(H,15,17)
InChIKeyKVHOGTGRNGOVHA-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.17
Rot. Bonds5

About N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (PubChem CID 81177334) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
PubChem CID81177334
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1ccon1)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O2/c13-10-3-1-2-4-11(10)15-12(17)8-14-7-9-5-6-18-16-9/h1-6,14H,7-8H2,(H,15,17)
InChIKeyKVHOGTGRNGOVHA-UHFFFAOYSA-N
XLogP2.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178095
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 47112206
N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 103850935
N-(2-bromophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 60694560
N-(2-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989583
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromophenyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106400170
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109010783

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (CID 81177334) is N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is O=C(CNCc1ccon1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The InChIKey is KVHOGTGRNGOVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-10-3-1-2-4-11(10)15-12(17)8-14-7-9-5-6-18-16-9/h1-6,14H,7-8H2,(H,15,17).
What are the key properties of N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is sourced from PubChem (CID 81177334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).