4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide

C8H14N4O4 — CID 62686747

IUPAC4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1nonc1N
InChIInChI=1S/C8H14N4O4/c1-12(3-5(13)4-15-2)8(14)6-7(9)11-16-10-6/h5,13H,3-4H2,1-2H3,(H2,9,11)
InChIKeyLMNSFXXFDYCHBI-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.27
Rot. Bonds5

About 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686747) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686747
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1nonc1N
InChIInChI=1S/C8H14N4O4/c1-12(3-5(13)4-15-2)8(14)6-7(9)11-16-10-6/h5,13H,3-4H2,1-2H3,(H2,9,11)
InChIKeyLMNSFXXFDYCHBI-UHFFFAOYSA-N
XLogP-1.27
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 62686747) is 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide is COCC(O)CN(C)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LMNSFXXFDYCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-12(3-5(13)4-15-2)8(14)6-7(9)11-16-10-6/h5,13H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).