N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide

C19H17BrN4O3 — CID 155482075

IUPACN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2c(C)ccc(Br)c2OC)ccc1N
InChIInChI=1S/C19H17BrN4O3/c1-10-3-5-13(20)18(26-2)16(10)19(25)24-11-4-6-14(21)12(7-11)17(22)15-8-23-9-27-15/h3-9,22H,21H2,1-2H3,(H,24,25)/b22-17-
InChIKeyYBSQYKXRKVGWIY-XLNRJJMWSA-N
MW429.27 g/mol
LogP4.00
Rot. Bonds5

About N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide

N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide (PubChem CID 155482075) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide
PubChem CID155482075
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC NameN-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide
SMILES[H]/N=C(\c1cnco1)c1cc(NC(=O)c2c(C)ccc(Br)c2OC)ccc1N
InChIInChI=1S/C19H17BrN4O3/c1-10-3-5-13(20)18(26-2)16(10)19(25)24-11-4-6-14(21)12(7-11)17(22)15-8-23-9-27-15/h3-9,22H,21H2,1-2H3,(H,24,25)/b22-17-
InChIKeyYBSQYKXRKVGWIY-XLNRJJMWSA-N
XLogP4.00
TPSA114.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-fluoro-6-methyl-N-[4-methyl-3-(1,3-oxazole-5-carboximidoyl)phenyl]benzamide
CID 167629769
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-2-cyano-3-ethylpyridine-4-carboxamide
CID 155481751
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 155574812
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
(5R,6R)-5-[4-amino-3-(1,3-oxazole-5-carboximidoyl)anilino]-6-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen;hydroiodide
CID 156851073
N-[4-amino-3-(pyrimidine-4-carboximidoyl)phenyl]-2,6-difluoro-3-methanimidoyl-4-(methylamino)benzamide
CID 155698783
N-[4-amino-3-(5-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 155482084
N-[4-amino-3-(2-methylbenzenecarboximidoyl)phenyl]-2,6-difluoro-3-methanimidoyl-4-(methylamino)benzamide
CID 155134168
N-[4-amino-3-(2-methoxypyridine-4-carboximidoyl)phenyl]-5-bromo-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155482731

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide?
The IUPAC name of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide (CID 155482075) is N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide.
What is the SMILES notation for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide?
The canonical SMILES for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide is [H]/N=C(\c1cnco1)c1cc(NC(=O)c2c(C)ccc(Br)c2OC)ccc1N.
What is the InChIKey of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide?
The InChIKey is YBSQYKXRKVGWIY-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-10-3-5-13(20)18(26-2)16(10)19(25)24-11-4-6-14(21)12(7-11)17(22)15-8-23-9-27-15/h3-9,22H,21H2,1-2H3,(H,24,25)/b22-17-.
What are the key properties of N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide?
N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide has a molecular weight of 429.27 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenyl]-3-bromo-2-methoxy-6-methylbenzamide is sourced from PubChem (CID 155482075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).