4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide

C10H18N6O2 — CID 140518136

IUPAC4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1CNCCN1CCOCC1
InChIInChI=1S/C10H18N6O2/c11-10(12)9-8(14-18-15-9)7-13-1-2-16-3-5-17-6-4-16/h13H,1-7H2,(H3,11,12)
InChIKeyDBFQXCWYFLKNAR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.22
Rot. Bonds6

About 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide

4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 140518136) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID140518136
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1CNCCN1CCOCC1
InChIInChI=1S/C10H18N6O2/c11-10(12)9-8(14-18-15-9)7-13-1-2-16-3-5-17-6-4-16/h13H,1-7H2,(H3,11,12)
InChIKeyDBFQXCWYFLKNAR-UHFFFAOYSA-N
XLogP-1.22
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-3-ol
CID 78928592
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
CID 59303713
CID 59303713
2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 121378982
2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide
CID 82425083
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922

Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 140518136) is 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide is [H]/N=C(\N)c1nonc1CNCCN1CCOCC1.
What is the InChIKey of 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is DBFQXCWYFLKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c11-10(12)9-8(14-18-15-9)7-13-1-2-16-3-5-17-6-4-16/h13H,1-7H2,(H3,11,12).
What are the key properties of 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide?
4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 254.29 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylethylamino)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 140518136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).