2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C12H12BrN3O2 — CID 16624216

IUPAC2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(Br)cc2)on1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-4-2-9(13)3-5-10/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyWECPGCZSPFDYAT-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 16624216) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID16624216
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2ccc(Br)cc2)on1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-4-2-9(13)3-5-10/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyWECPGCZSPFDYAT-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31678260
2-(3-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31673888
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
2-(2-iodoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31691858
4-(ethylamino)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62184915
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60823742
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 16624216) is 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNc2ccc(Br)cc2)on1.
What is the InChIKey of 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is WECPGCZSPFDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-6-12(18-16-8)15-11(17)7-14-10-4-2-9(13)3-5-10/h2-6,14H,7H2,1H3,(H,15,17).
What are the key properties of 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 16624216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).