2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H18BrN3O4 — CID 55772881

IUPAC2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)COc2ccc3cc(Br)ccc3c2)no1
InChIInChI=1S/C19H18BrN3O4/c1-12-7-17(22-27-12)21-18(24)10-23(2)19(25)11-26-16-6-4-13-8-15(20)5-3-14(13)9-16/h3-9H,10-11H2,1-2H3,(H,21,22,24)
InChIKeySOIZVMDRZNZFPB-UHFFFAOYSA-N
MW432.27 g/mol
LogP3.37
Rot. Bonds6

About 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 55772881) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID55772881
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Name2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)COc2ccc3cc(Br)ccc3c2)no1
InChIInChI=1S/C19H18BrN3O4/c1-12-7-17(22-27-12)21-18(24)10-23(2)19(25)11-26-16-6-4-13-8-15(20)5-3-14(13)9-16/h3-9H,10-11H2,1-2H3,(H,21,22,24)
InChIKeySOIZVMDRZNZFPB-UHFFFAOYSA-N
XLogP3.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 107518559
2-(6-bromonaphthalen-2-yl)oxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
CID 86945897
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 120666888
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 55772881) is 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)C(=O)COc2ccc3cc(Br)ccc3c2)no1.
What is the InChIKey of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SOIZVMDRZNZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-12-7-17(22-27-12)21-18(24)10-23(2)19(25)11-26-16-6-4-13-8-15(20)5-3-14(13)9-16/h3-9H,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 432.27 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 55772881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).