2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C12H12BrN3O2 — CID 79722571

IUPAC2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Br)cc2N)no1
InChIInChI=1S/C12H12BrN3O2/c1-7-4-9(16-18-7)6-15-12(17)10-3-2-8(13)5-11(10)14/h2-5H,6,14H2,1H3,(H,15,17)
InChIKeyKPUYZKYNXFJDPR-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 79722571) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID79722571
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(Br)cc2N)no1
InChIInChI=1S/C12H12BrN3O2/c1-7-4-9(16-18-7)6-15-12(17)10-3-2-8(13)5-11(10)14/h2-5H,6,14H2,1H3,(H,15,17)
InChIKeyKPUYZKYNXFJDPR-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-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 113447693
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-nitrobenzamide
CID 115548682
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
5-amino-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
CID 115330671
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 79722571) is 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(Br)cc2N)no1.
What is the InChIKey of 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is KPUYZKYNXFJDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7-4-9(16-18-7)6-15-12(17)10-3-2-8(13)5-11(10)14/h2-5H,6,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-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 2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 79722571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).