5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide

C12H12BrN3O2 — CID 106368587

IUPAC5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccc2Br)o1
InChIInChI=1S/C12H12BrN3O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(14)2-3-10(9)13/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyKSNWDDOHGXGMGZ-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.26
Rot. Bonds3

About 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide

5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 106368587) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID106368587
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccc2Br)o1
InChIInChI=1S/C12H12BrN3O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(14)2-3-10(9)13/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyKSNWDDOHGXGMGZ-UHFFFAOYSA-N
XLogP2.26
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113339241
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377156
4-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 103799883
2-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106377528
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
2-fluoro-4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104929891
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171
5-[[(5-amino-2-bromobenzoyl)amino]methyl]furan-2-carboxylic acid
CID 115297434

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 106368587) is 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(N)ccc2Br)o1.
What is the InChIKey of 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is KSNWDDOHGXGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7-5-15-11(18-7)6-16-12(17)9-4-8(14)2-3-10(9)13/h2-5H,6,14H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 310.15 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106368587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).