4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide

C11H19N5O3 — CID 83096042

IUPAC4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
SMILESCC(C)(N)c1noc(CN2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H19N5O3/c1-11(2,13)10-14-8(19-15-10)5-16-3-4-18-6-7(16)9(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17)
InChIKeyUTXAYTVWIHDZBF-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.05
Rot. Bonds4

About 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide

4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide (PubChem CID 83096042) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
PubChem CID83096042
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
SMILESCC(C)(N)c1noc(CN2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H19N5O3/c1-11(2,13)10-14-8(19-15-10)5-16-3-4-18-6-7(16)9(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17)
InChIKeyUTXAYTVWIHDZBF-UHFFFAOYSA-N
XLogP-1.05
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide with MolForge

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Related Compounds

2-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 54857179
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 83096482
4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
CID 83096189
4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83096013
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
CID 83095661
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide (CID 83096042) is 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide is CC(C)(N)c1noc(CN2CCOCC2C(N)=O)n1.
What is the InChIKey of 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide?
The InChIKey is UTXAYTVWIHDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-11(2,13)10-14-8(19-15-10)5-16-3-4-18-6-7(16)9(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17).
What are the key properties of 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide?
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).