2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C14H24N4O3 — CID 116637793

IUPAC2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCCCCC2CO)o1
InChIInChI=1S/C14H24N4O3/c1-10(2)13-16-17-14(21-13)15-12(20)8-18-7-5-3-4-6-11(18)9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17,20)
InChIKeyJGQWTMSZMXZTNP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.37
Rot. Bonds5

About 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 116637793) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID116637793
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCCCCC2CO)o1
InChIInChI=1S/C14H24N4O3/c1-10(2)13-16-17-14(21-13)15-12(20)8-18-7-5-3-4-6-11(18)9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17,20)
InChIKeyJGQWTMSZMXZTNP-UHFFFAOYSA-N
XLogP1.37
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637804
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 113284515
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62015902
2-(3-aminoazetidin-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 65249493
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 115312712
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 103576957
N-heptan-2-yl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637510
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 116637793) is 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN2CCCCCC2CO)o1.
What is the InChIKey of 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is JGQWTMSZMXZTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)13-16-17-14(21-13)15-12(20)8-18-7-5-3-4-6-11(18)9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17,20).
What are the key properties of 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 116637793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).