N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

C10H9N3O3 — CID 136690185

IUPACN-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnon2)c1
InChIInChI=1S/C10H9N3O3/c1-6-2-3-9(14)7(4-6)12-10(15)8-5-11-16-13-8/h2-5,14H,1H3,(H,12,15)
InChIKeyNDWKPDKTEXQWKD-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.34
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide

N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 136690185) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID136690185
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnon2)c1
InChIInChI=1S/C10H9N3O3/c1-6-2-3-9(14)7(4-6)12-10(15)8-5-11-16-13-8/h2-5,14H,1H3,(H,12,15)
InChIKeyNDWKPDKTEXQWKD-UHFFFAOYSA-N
XLogP1.34
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
5-[(2-hydroxy-5-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 25248036
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-2-carboxamide
CID 60727615
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 122156506
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 136690185) is N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cnon2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NDWKPDKTEXQWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-2-3-9(14)7(4-6)12-10(15)8-5-11-16-13-8/h2-5,14H,1H3,(H,12,15).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 136690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).