N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide

C13H19N3O3 — CID 162630976

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCCCCC2=O)c1C
InChIInChI=1S/C13H19N3O3/c1-9-10(2)15-19-13(9)14-11(17)8-16-7-5-3-4-6-12(16)18/h3-8H2,1-2H3,(H,14,17)
InChIKeyXPADZJVHTFJDHA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 162630976) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID162630976
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCCCCC2=O)c1C
InChIInChI=1S/C13H19N3O3/c1-9-10(2)15-19-13(9)14-11(17)8-16-7-5-3-4-6-12(16)18/h3-8H2,1-2H3,(H,14,17)
InChIKeyXPADZJVHTFJDHA-UHFFFAOYSA-N
XLogP1.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 75462240
2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 65488153
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-(2-oxoazepan-1-yl)acetamide
CID 157016695
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 112689248
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869869
3,5-dimethyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 39513622
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78886465
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide (CID 162630976) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide is Cc1noc(NC(=O)CN2CCCCCC2=O)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is XPADZJVHTFJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-10(2)15-19-13(9)14-11(17)8-16-7-5-3-4-6-12(16)18/h3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 162630976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).