2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide

C12H19N5O3 — CID 114398582

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCC1CN(CC(=O)Nc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C12H19N5O3/c13-5-9-6-17(3-4-19-9)7-10(18)14-12-16-15-11(20-12)8-1-2-8/h8-9H,1-7,13H2,(H,14,16,18)
InChIKeyWTIKZSIYISBSOJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.46
Rot. Bonds5

About 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 114398582) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID114398582
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESNCC1CN(CC(=O)Nc2nnc(C3CC3)o2)CCO1
InChIInChI=1S/C12H19N5O3/c13-5-9-6-17(3-4-19-9)7-10(18)14-12-16-15-11(20-12)8-1-2-8/h8-9H,1-7,13H2,(H,14,16,18)
InChIKeyWTIKZSIYISBSOJ-UHFFFAOYSA-N
XLogP-0.46
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide (CID 114398582) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is NCC1CN(CC(=O)Nc2nnc(C3CC3)o2)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WTIKZSIYISBSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-5-9-6-17(3-4-19-9)7-10(18)14-12-16-15-11(20-12)8-1-2-8/h8-9H,1-7,13H2,(H,14,16,18).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 281.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 114398582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).