N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

C16H15N3O4 — CID 7293099

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCc1cc(NC(=O)COc2cccc3c(=O)n(C)ccc23)no1
InChIInChI=1S/C16H15N3O4/c1-10-8-14(18-23-10)17-15(20)9-22-13-5-3-4-12-11(13)6-7-19(2)16(12)21/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyTUTXSVWZWUKKGS-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.85
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293099) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293099
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCc1cc(NC(=O)COc2cccc3c(=O)n(C)ccc23)no1
InChIInChI=1S/C16H15N3O4/c1-10-8-14(18-23-10)17-15(20)9-22-13-5-3-4-12-11(13)6-7-19(2)16(12)21/h3-8H,9H2,1-2H3,(H,17,18,20)
InChIKeyTUTXSVWZWUKKGS-UHFFFAOYSA-N
XLogP1.85
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
2-methyl-5-(2-oxopropoxy)isoquinolin-1-one
CID 43985489
2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293076
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293099) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is Cc1cc(NC(=O)COc2cccc3c(=O)n(C)ccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is TUTXSVWZWUKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-8-14(18-23-10)17-15(20)9-22-13-5-3-4-12-11(13)6-7-19(2)16(12)21/h3-8H,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 313.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).