4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C12H14N4O3 — CID 62685947

IUPAC4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H14N4O3/c1-2-18-7-8-5-3-4-6-9(8)14-12(17)10-11(13)16-19-15-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGIMPMLBVAZRWHS-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62685947) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62685947
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H14N4O3/c1-2-18-7-8-5-3-4-6-9(8)14-12(17)10-11(13)16-19-15-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGIMPMLBVAZRWHS-UHFFFAOYSA-N
XLogP1.44
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 55103614
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687600
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-amino-N-(4-bromo-2-ethylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81292624
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
2-(5-amino-2-pyridinyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 107337699
N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86821917

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62685947) is 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is CCOCc1ccccc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GIMPMLBVAZRWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-18-7-8-5-3-4-6-9(8)14-12(17)10-11(13)16-19-15-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62685947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).