5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C7H12N4O3 — CID 102791226

IUPAC5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(O)CN)n1
InChIInChI=1S/C7H12N4O3/c1-2-9-6(13)5-10-7(14-11-5)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,13)
InChIKeyCTMCJCMLPDEYTA-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.19
Rot. Bonds4

About 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791226) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791226
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(C(O)CN)n1
InChIInChI=1S/C7H12N4O3/c1-2-9-6(13)5-10-7(14-11-5)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,13)
InChIKeyCTMCJCMLPDEYTA-UHFFFAOYSA-N
XLogP-1.19
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631895
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791120
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791374
ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107837243
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791281
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791226) is 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(C(O)CN)n1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CTMCJCMLPDEYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-2-9-6(13)5-10-7(14-11-5)4(12)3-8/h4,12H,2-3,8H2,1H3,(H,9,13).
What are the key properties of 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 200.20 g/mol, XLogP of -1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).